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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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).