4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine

C22H26N6O — CID 24797792

IUPAC4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2nccc(NCCCN3CCOCC3)n2)cc(-c2ccncc2)c1
InChIInChI=1S/C22H26N6O/c1-3-19(18-5-9-23-10-6-18)17-20(4-1)26-22-25-11-7-21(27-22)24-8-2-12-28-13-15-29-16-14-28/h1,3-7,9-11,17H,2,8,12-16H2,(H2,24,25,26,27)
InChIKeyZCJMBIQJYXQBIA-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.42
Rot. Bonds8

About 4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine

4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 24797792) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine
PubChem CID24797792
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2nccc(NCCCN3CCOCC3)n2)cc(-c2ccncc2)c1
InChIInChI=1S/C22H26N6O/c1-3-19(18-5-9-23-10-6-18)17-20(4-1)26-22-25-11-7-21(27-22)24-8-2-12-28-13-15-29-16-14-28/h1,3-7,9-11,17H,2,8,12-16H2,(H2,24,25,26,27)
InChIKeyZCJMBIQJYXQBIA-UHFFFAOYSA-N
XLogP3.42
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[3-(2,5-dihydropyrrol-1-yl)propyl]-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine
CID 90748374
4-N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine
CID 91613573
2-N-[3-(3-chlorophenyl)phenyl]-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 24798343
2-N-[3-(3-methoxyphenyl)phenyl]-4-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 24798064
N-[3-[[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112887387
2-N-[3-(3-nitrophenyl)phenyl]-4-N-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine
CID 24798345
4-N-[3-(2,5-dihydropyrrol-1-yl)propyl]-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine
CID 91262527
2-N-[3-(3-chlorophenyl)phenyl]-4-N-[3-(2,4-dihydroimidazol-3-yl)propyl]pyrimidine-2,4-diamine
CID 90871154
2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887341
2-N-(3-methylphenyl)-4-N-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine
CID 91217991
2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887432

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine (CID 24797792) is 4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine is c1cc(Nc2nccc(NCCCN3CCOCC3)n2)cc(-c2ccncc2)c1.
What is the InChIKey of 4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is ZCJMBIQJYXQBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-3-19(18-5-9-23-10-6-18)17-20(4-1)26-22-25-11-7-21(27-22)24-8-2-12-28-13-15-29-16-14-28/h1,3-7,9-11,17H,2,8,12-16H2,(H2,24,25,26,27).
What are the key properties of 4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine?
4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 390.49 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 24797792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).