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

C9H11FN4 — CID 155245230

IUPAC6-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine
SMILESCC1CCc2ncnc(N)c2N=C1F
InChIInChI=1S/C9H11FN4/c1-5-2-3-6-7(14-8(5)10)9(11)13-4-12-6/h4-5H,2-3H2,1H3,(H2,11,12,13)
InChIKeyRBMBALZBORFFHO-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.64
Rot. Bonds

About 6-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine

6-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine (PubChem CID 155245230) has the molecular formula C9H11FN4 and a molecular weight of 194.21 g/mol. Its IUPAC name is 6-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine.

Molecular Properties

Compound Name6-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine
PubChem CID155245230
Molecular FormulaC9H11FN4
Molecular Weight194.21 g/mol
Exact Mass194.10
IUPAC Name6-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine
SMILESCC1CCc2ncnc(N)c2N=C1F
InChIInChI=1S/C9H11FN4/c1-5-2-3-6-7(14-8(5)10)9(11)13-4-12-6/h4-5H,2-3H2,1H3,(H2,11,12,13)
InChIKeyRBMBALZBORFFHO-UHFFFAOYSA-N
XLogP1.64
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine?
The IUPAC name of 6-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine (CID 155245230) is 6-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine.
What is the SMILES notation for 6-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine?
The canonical SMILES for 6-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine is CC1CCc2ncnc(N)c2N=C1F.
What is the InChIKey of 6-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine?
The InChIKey is RBMBALZBORFFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4/c1-5-2-3-6-7(14-8(5)10)9(11)13-4-12-6/h4-5H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of 6-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine?
6-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine has a molecular weight of 194.21 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine is sourced from PubChem (CID 155245230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).