N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine

C10H12F3N3 — CID 171993956

IUPACN-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(NCC2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3/c1-6-15-8(10(11,12)13)4-9(16-6)14-5-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,14,15,16)
InChIKeySIIMDIRDFCGYCC-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.63
Rot. Bonds3

About N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine

N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 171993956) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID171993956
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC NameN-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(NCC2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3/c1-6-15-8(10(11,12)13)4-9(16-6)14-5-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,14,15,16)
InChIKeySIIMDIRDFCGYCC-UHFFFAOYSA-N
XLogP2.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,4-N-bis(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133334171
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564036
2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562240
N-[(4-ethylcyclohexyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66324640
4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138816
4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130133
N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326683
N-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 106126705
2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile
CID 115266821
1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133472278
4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564846

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 171993956) is N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine is Cc1nc(NCC2CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SIIMDIRDFCGYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-6-15-8(10(11,12)13)4-9(16-6)14-5-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,14,15,16).
What are the key properties of N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 231.22 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 171993956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).