7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine

C9H12N4 — CID 142226705

IUPAC7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine
SMILESCC1C=Nc2c(N)ncnc2CC1
InChIInChI=1S/C9H12N4/c1-6-2-3-7-8(11-4-6)9(10)13-5-12-7/h4-6H,2-3H2,1H3,(H2,10,12,13)
InChIKeyNLTUXFDITMACFK-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.34
Rot. Bonds

About 7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine

7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine (PubChem CID 142226705) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine.

Molecular Properties

Compound Name7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine
PubChem CID142226705
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine
SMILESCC1C=Nc2c(N)ncnc2CC1
InChIInChI=1S/C9H12N4/c1-6-2-3-7-8(11-4-6)9(10)13-5-12-7/h4-6H,2-3H2,1H3,(H2,10,12,13)
InChIKeyNLTUXFDITMACFK-UHFFFAOYSA-N
XLogP1.34
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 21135538
6-Ethyl-N~2~,N~2~,N~4~,N~4~-tetramethylpyrimidine-2,4,5-triamine
CID 57353864
N-methyl-5,6-di(propan-2-yl)pyrimidin-4-amine
CID 65440079
5-Fluoro-4,6-di(propan-2-yl)pyrimidine
CID 68036228
4-(5-Fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine
CID 126593499
6-N-[(2S)-2-fluorobutyl]-6-N-methyl-7,8-dihydropyrido[3,2-d]pyrimidine-4,6-diamine
CID 145675985
2-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine
CID 153401229
6-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine
CID 155245230
(9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine
CID 163874567
4-(3,3-Difluoropentyl)-6-propan-2-ylpyrimidin-5-amine
CID 170041928
4-Cyclobutyl-6-(difluoromethyl)pyrimidin-5-amine
CID 173715328
6-[3-(Trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrimidine-4,5-diamine
CID 176395711

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine?
The IUPAC name of 7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine (CID 142226705) is 7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine.
What is the SMILES notation for 7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine?
The canonical SMILES for 7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine is CC1C=Nc2c(N)ncnc2CC1.
What is the InChIKey of 7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine?
The InChIKey is NLTUXFDITMACFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6-2-3-7-8(11-4-6)9(10)13-5-12-7/h4-6H,2-3H2,1H3,(H2,10,12,13).
What are the key properties of 7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine?
7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine has a molecular weight of 176.22 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine is sourced from PubChem (CID 142226705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).