N-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine

C16H22N6O — CID 72887651

IUPACN-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine
SMILESc1nc2c([nH]1)CN(Cc1cnc(NCC3CCCO3)nc1)CC2
InChIInChI=1S/C16H22N6O/c1-2-13(23-5-1)8-19-16-17-6-12(7-18-16)9-22-4-3-14-15(10-22)21-11-20-14/h6-7,11,13H,1-5,8-10H2,(H,20,21)(H,17,18,19)
InChIKeyZNIODROVWZGGGE-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.35
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine

N-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine (PubChem CID 72887651) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine
PubChem CID72887651
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine
SMILESc1nc2c([nH]1)CN(Cc1cnc(NCC3CCCO3)nc1)CC2
InChIInChI=1S/C16H22N6O/c1-2-13(23-5-1)8-19-16-17-6-12(7-18-16)9-22-4-3-14-15(10-22)21-11-20-14/h6-7,11,13H,1-5,8-10H2,(H,20,21)(H,17,18,19)
InChIKeyZNIODROVWZGGGE-UHFFFAOYSA-N
XLogP1.35
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine with MolForge

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Related Compounds

5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99930314
5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99930315
[1-ethyl-5-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 99930900
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99941314
6-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 95865280
5-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 135119831
5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride
CID 154904060
5-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99948728
5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99931126
morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252032
5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99936239
5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124679926

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine (CID 72887651) is N-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine is c1nc2c([nH]1)CN(Cc1cnc(NCC3CCCO3)nc1)CC2.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine?
The InChIKey is ZNIODROVWZGGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-2-13(23-5-1)8-19-16-17-6-12(7-18-16)9-22-4-3-14-15(10-22)21-11-20-14/h6-7,11,13H,1-5,8-10H2,(H,20,21)(H,17,18,19).
What are the key properties of N-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine?
N-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 72887651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).