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

C9H11FN4 — CID 153401229

IUPAC2-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine
SMILESCC1C=Nc2c(N)nc(F)nc2CC1
InChIInChI=1S/C9H11FN4/c1-5-2-3-6-7(12-4-5)8(11)14-9(10)13-6/h4-5H,2-3H2,1H3,(H2,11,13,14)
InChIKeySZJGQRRMFMTLJR-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.48
Rot. Bonds

About 2-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine

2-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine (PubChem CID 153401229) has the molecular formula C9H11FN4 and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine.

Molecular Properties

Compound Name2-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine
PubChem CID153401229
Molecular FormulaC9H11FN4
Molecular Weight194.21 g/mol
Exact Mass194.10
IUPAC Name2-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine
SMILESCC1C=Nc2c(N)nc(F)nc2CC1
InChIInChI=1S/C9H11FN4/c1-5-2-3-6-7(12-4-5)8(11)14-9(10)13-6/h4-5H,2-3H2,1H3,(H2,11,13,14)
InChIKeySZJGQRRMFMTLJR-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine?
The IUPAC name of 2-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine (CID 153401229) is 2-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine.
What is the SMILES notation for 2-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine?
The canonical SMILES for 2-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine is CC1C=Nc2c(N)nc(F)nc2CC1.
What is the InChIKey of 2-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine?
The InChIKey is SZJGQRRMFMTLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4/c1-5-2-3-6-7(12-4-5)8(11)14-9(10)13-6/h4-5H,2-3H2,1H3,(H2,11,13,14).
What are the key properties of 2-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine?
2-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 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine is sourced from PubChem (CID 153401229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).