N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine

C15H24N4O — CID 56897766

IUPACN-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
SMILESCOC[C@H]1CCC[C@H]1Nc1ncnc2c1CCNCC2
InChIInChI=1S/C15H24N4O/c1-20-9-11-3-2-4-13(11)19-15-12-5-7-16-8-6-14(12)17-10-18-15/h10-11,13,16H,2-9H2,1H3,(H,17,18,19)/t11-,13-/m1/s1
InChIKeyWGLLKTZZHDQJHF-DGCLKSJQSA-N
MW276.38 g/mol
LogP1.39
Rot. Bonds4

About N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine

N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine (PubChem CID 56897766) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
PubChem CID56897766
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
SMILESCOC[C@H]1CCC[C@H]1Nc1ncnc2c1CCNCC2
InChIInChI=1S/C15H24N4O/c1-20-9-11-3-2-4-13(11)19-15-12-5-7-16-8-6-14(12)17-10-18-15/h10-11,13,16H,2-9H2,1H3,(H,17,18,19)/t11-,13-/m1/s1
InChIKeyWGLLKTZZHDQJHF-DGCLKSJQSA-N
XLogP1.39
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine with MolForge

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Related Compounds

N-1-oxaspiro[4.4]non-3-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56901612
N~2~-(2-methoxyethyl)-N~4~-(tetrahydrofuran-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 56914759
2-cyclopentyl-N-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56919216
4-N-cyclopropyl-7-(oxan-4-yl)-2-N-propan-2-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-2,4-diamine
CID 97404664
7-(2-methoxyethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97404846
2-methyl-7-(oxan-4-yl)-N-propan-2-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97515677
7-(cyclopentylmethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97516377
N,N-dimethyl-7-(oxan-4-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97516378
N-cyclopropyl-7-(2-methoxyethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97516452
N-Isopropyl-6,7,8,9-Tetrahydro-5H-Pyrimido[4,5-D]Azepin-4-Amine
CID 97516494
7-(2-methoxyethyl)-N-propan-2-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97516497
4-(6,7,8,9-Tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholine
CID 97516695

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?
The IUPAC name of N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine (CID 56897766) is N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine.
What is the SMILES notation for N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?
The canonical SMILES for N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine is COC[C@H]1CCC[C@H]1Nc1ncnc2c1CCNCC2.
What is the InChIKey of N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?
The InChIKey is WGLLKTZZHDQJHF-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H24N4O/c1-20-9-11-3-2-4-13(11)19-15-12-5-7-16-8-6-14(12)17-10-18-15/h10-11,13,16H,2-9H2,1H3,(H,17,18,19)/t11-,13-/m1/s1.
What are the key properties of N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?
N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine has a molecular weight of 276.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine is sourced from PubChem (CID 56897766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).