1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]guanidine

C21H30N6O — CID 142888289

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]guanidine
SMILESCc1cc(C)nc(N/C(N)=N/Cc2ccc(OCC3CCCCN3C)cc2)n1
InChIInChI=1S/C21H30N6O/c1-15-12-16(2)25-21(24-15)26-20(22)23-13-17-7-9-19(10-8-17)28-14-18-6-4-5-11-27(18)3/h7-10,12,18H,4-6,11,13-14H2,1-3H3,(H3,22,23,24,25,26)
InChIKeyJQMRRGANQMHUMD-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.88
Rot. Bonds6

About 1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]guanidine

1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]guanidine (PubChem CID 142888289) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]guanidine
PubChem CID142888289
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]guanidine
SMILESCc1cc(C)nc(N/C(N)=N/Cc2ccc(OCC3CCCCN3C)cc2)n1
InChIInChI=1S/C21H30N6O/c1-15-12-16(2)25-21(24-15)26-20(22)23-13-17-7-9-19(10-8-17)28-14-18-6-4-5-11-27(18)3/h7-10,12,18H,4-6,11,13-14H2,1-3H3,(H3,22,23,24,25,26)
InChIKeyJQMRRGANQMHUMD-UHFFFAOYSA-N
XLogP2.88
TPSA88.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[3-(pyrrolidin-3-ylamino)propoxy]phenyl]methyl]guanidine
CID 142888238
2-methyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54335638
2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
CID 142888271
2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide
CID 81054789
[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
CID 102814695
1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 70065805
[2-methyl-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-yl]hydrazine
CID 80921266
acetic acid;2-[(4-ethylphenoxy)methyl]-1-methylpyrrolidine
CID 91515724
3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 112648511
3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline
CID 20738719
[6-methyl-2-[(1-methylpiperidin-2-yl)methoxy]-3-pyridinyl]methanamine
CID 65471691
2-methyl-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
CID 18391691

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]guanidine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]guanidine (CID 142888289) is 1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]guanidine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]guanidine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]guanidine is Cc1cc(C)nc(N/C(N)=N/Cc2ccc(OCC3CCCCN3C)cc2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]guanidine?
The InChIKey is JQMRRGANQMHUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-15-12-16(2)25-21(24-15)26-20(22)23-13-17-7-9-19(10-8-17)28-14-18-6-4-5-11-27(18)3/h7-10,12,18H,4-6,11,13-14H2,1-3H3,(H3,22,23,24,25,26).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]guanidine?
1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]guanidine has a molecular weight of 382.51 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]guanidine is sourced from PubChem (CID 142888289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).