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

C17H24N6O — CID 97405484

IUPACN-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine
SMILESc1cnc(NCc2ncn3c2CN(C2CCOCC2)CCC3)nc1
InChIInChI=1S/C17H24N6O/c1-5-18-17(19-6-1)20-11-15-16-12-22(14-3-9-24-10-4-14)7-2-8-23(16)13-21-15/h1,5-6,13-14H,2-4,7-12H2,(H,18,19,20)
InChIKeyWMJVULGLOZKTGZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.67
Rot. Bonds4

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

N-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 97405484) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine
PubChem CID97405484
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine
SMILESc1cnc(NCc2ncn3c2CN(C2CCOCC2)CCC3)nc1
InChIInChI=1S/C17H24N6O/c1-5-18-17(19-6-1)20-11-15-16-12-22(14-3-9-24-10-4-14)7-2-8-23(16)13-21-15/h1,5-6,13-14H,2-4,7-12H2,(H,18,19,20)
InChIKeyWMJVULGLOZKTGZ-UHFFFAOYSA-N
XLogP1.67
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
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

N-[[8-[2-(dimethylamino)ethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine
CID 97405482
2-[1-[(Pyrimidin-2-ylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol
CID 97405511
1-[1-[(Pyrimidin-2-ylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
CID 97519509
2-(Dimethylamino)-1-[1-[(pyrimidin-2-ylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
CID 97519510
4-(azepan-1-yl)-N-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 66903556
N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine
CID 97405483
1-[(Pyrimidin-2-ylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide
CID 97405487
N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine
CID 97413594
(6S)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97483760
(6R)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97483762
(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97487296
(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97487297

Frequently Asked Questions

What is the IUPAC name of N-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine (CID 97405484) is N-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine is c1cnc(NCc2ncn3c2CN(C2CCOCC2)CCC3)nc1.
What is the InChIKey of N-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is WMJVULGLOZKTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-5-18-17(19-6-1)20-11-15-16-12-22(14-3-9-24-10-4-14)7-2-8-23(16)13-21-15/h1,5-6,13-14H,2-4,7-12H2,(H,18,19,20).
What are the key properties of N-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine?
N-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 328.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 97405484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).