N-(oxolan-2-ylmethyl)-5-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)pyrimidin-2-amine

C17H24N6O — CID 56908527

IUPACN-(oxolan-2-ylmethyl)-5-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)pyrimidin-2-amine
SMILESc1nc(NCC2CCCO2)ncc1CN1CCCn2cncc2C1
InChIInChI=1S/C17H24N6O/c1-3-16(24-6-1)10-21-17-19-7-14(8-20-17)11-22-4-2-5-23-13-18-9-15(23)12-22/h7-9,13,16H,1-6,10-12H2,(H,19,20,21)
InChIKeyKPFLZVBILVUPHU-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.67
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-5-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)pyrimidin-2-amine

N-(oxolan-2-ylmethyl)-5-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)pyrimidin-2-amine (PubChem CID 56908527) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)pyrimidin-2-amine
PubChem CID56908527
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-(oxolan-2-ylmethyl)-5-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)pyrimidin-2-amine
SMILESc1nc(NCC2CCCO2)ncc1CN1CCCn2cncc2C1
InChIInChI=1S/C17H24N6O/c1-3-16(24-6-1)10-21-17-19-7-14(8-20-17)11-22-4-2-5-23-13-18-9-15(23)12-22/h7-9,13,16H,1-6,10-12H2,(H,19,20,21)
InChIKeyKPFLZVBILVUPHU-UHFFFAOYSA-N
XLogP1.67
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99946648
4-(imidazol-1-ylmethyl)-1-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]piperidin-4-ol
CID 99946688
2-(2-{2-[(tetrahydrofuran-2-ylmethyl)amino]pyrimidin-5-yl}-1H-imidazol-1-yl)ethanol
CID 56755962
6-N-(3-imidazol-1-ylpropyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22543114
6-imidazol-1-yl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 22543131
5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(tetrahydro-2-furanylmethyl)-2-pyrimidinamine
CID 70764075
5-{[methyl(pyrazin-2-ylmethyl)amino]methyl}-N-(tetrahydrofuran-2-ylmethyl)pyrimidin-2-amine
CID 77083663
5-({ethyl[(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)-N-(tetrahydrofuran-2-ylmethyl)pyrimidin-2-amine
CID 77093139
4-(1H-imidazol-1-ylmethyl)-1-({2-[(tetrahydrofuran-2-ylmethyl)amino]pyrimidin-5-yl}methyl)piperidin-4-ol
CID 77093164
5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 96401907
5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 96401908
N-[[(3S,5R)-7-[(3-methylimidazol-4-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine
CID 98778544

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)pyrimidin-2-amine (CID 56908527) is N-(oxolan-2-ylmethyl)-5-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)pyrimidin-2-amine is c1nc(NCC2CCCO2)ncc1CN1CCCn2cncc2C1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)pyrimidin-2-amine?
The InChIKey is KPFLZVBILVUPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-16(24-6-1)10-21-17-19-7-14(8-20-17)11-22-4-2-5-23-13-18-9-15(23)12-22/h7-9,13,16H,1-6,10-12H2,(H,19,20,21).
What are the key properties of N-(oxolan-2-ylmethyl)-5-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)pyrimidin-2-amine?
N-(oxolan-2-ylmethyl)-5-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)pyrimidin-2-amine has a molecular weight of 328.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 56908527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).