N-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide

C22H22N6O2 — CID 144632643

IUPACN-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide
SMILES[H]/N=C(\N=N\[H])c1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)cc1
InChIInChI=1S/C22H22N6O2/c1-13-25-11-19(14-3-5-15(6-4-14)21(23)28-24)22(27-13)30-12-16-9-18(16)20-8-7-17(29-2)10-26-20/h3-8,10-11,16,18,23-24H,9,12H2,1-2H3/b23-21-,28-24+/t16-,18+/m1/s1
InChIKeyPPIUJYXTLYSSPO-FSBUEPMJSA-N
MW402.46 g/mol
LogP4.39
Rot. Bonds7

About N-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide

N-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide (PubChem CID 144632643) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide
PubChem CID144632643
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide
SMILES[H]/N=C(\N=N\[H])c1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)cc1
InChIInChI=1S/C22H22N6O2/c1-13-25-11-19(14-3-5-15(6-4-14)21(23)28-24)22(27-13)30-12-16-9-18(16)20-8-7-17(29-2)10-26-20/h3-8,10-11,16,18,23-24H,9,12H2,1-2H3/b23-21-,28-24+/t16-,18+/m1/s1
InChIKeyPPIUJYXTLYSSPO-FSBUEPMJSA-N
XLogP4.39
TPSA117.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzoic acid
CID 118474071
3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazole
CID 123839926
[3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
CID 123265968
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine
CID 123528273
2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol
CID 123269816
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine
CID 123278187
1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol
CID 123926099
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole
CID 71488705
5-methoxy-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 144632598
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one
CID 118434178
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole
CID 90182321
1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one
CID 123583098

Frequently Asked Questions

What is the IUPAC name of N-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide?
The IUPAC name of N-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide (CID 144632643) is N-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide.
What is the SMILES notation for N-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide?
The canonical SMILES for N-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide is [H]/N=C(\N=N\[H])c1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)cc1.
What is the InChIKey of N-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide?
The InChIKey is PPIUJYXTLYSSPO-FSBUEPMJSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-13-25-11-19(14-3-5-15(6-4-14)21(23)28-24)22(27-13)30-12-16-9-18(16)20-8-7-17(29-2)10-26-20/h3-8,10-11,16,18,23-24H,9,12H2,1-2H3/b23-21-,28-24+/t16-,18+/m1/s1.
What are the key properties of N-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide?
N-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide has a molecular weight of 402.46 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide is sourced from PubChem (CID 144632643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).