N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine

C9H12FN3 — CID 126849132

IUPACN-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine
SMILESFCc1cc(NCC2CC2)ncn1
InChIInChI=1S/C9H12FN3/c10-4-8-3-9(13-6-12-8)11-5-7-1-2-7/h3,6-7H,1-2,4-5H2,(H,11,12,13)
InChIKeyGNUCULZPWQXNFY-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.77
Rot. Bonds4

About N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine

N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine (PubChem CID 126849132) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine
PubChem CID126849132
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC NameN-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine
SMILESFCc1cc(NCC2CC2)ncn1
InChIInChI=1S/C9H12FN3/c10-4-8-3-9(13-6-12-8)11-5-7-1-2-7/h3,6-7H,1-2,4-5H2,(H,11,12,13)
InChIKeyGNUCULZPWQXNFY-UHFFFAOYSA-N
XLogP1.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclobutylmethyl)-6-propylpyrimidin-4-amine
CID 61241873
N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine
CID 115416489
N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972538
4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80828903
4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106137378
N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 114147282
6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 66326407
1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 126849133
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130861
N-[(4-chlorocyclohexyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106125796
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine
CID 106126816

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine (CID 126849132) is N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine is FCc1cc(NCC2CC2)ncn1.
What is the InChIKey of N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine?
The InChIKey is GNUCULZPWQXNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-4-8-3-9(13-6-12-8)11-5-7-1-2-7/h3,6-7H,1-2,4-5H2,(H,11,12,13).
What are the key properties of N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine?
N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine has a molecular weight of 181.21 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126849132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).