2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine

C12H10ClF3N4 — CID 114562584

IUPAC2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(CNc2cc(C(F)(F)F)nc(Cl)n2)cn1
InChIInChI=1S/C12H10ClF3N4/c1-7-2-3-8(5-17-7)6-18-10-4-9(12(14,15)16)19-11(13)20-10/h2-5H,6H2,1H3,(H,18,19,20)
InChIKeyUKTRCSSMHBNSDM-UHFFFAOYSA-N
MW302.69 g/mol
LogP3.46
Rot. Bonds3

About 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114562584) has the molecular formula C12H10ClF3N4 and a molecular weight of 302.69 g/mol. Its IUPAC name is 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114562584
Molecular FormulaC12H10ClF3N4
Molecular Weight302.69 g/mol
Exact Mass302.05
IUPAC Name2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(CNc2cc(C(F)(F)F)nc(Cl)n2)cn1
InChIInChI=1S/C12H10ClF3N4/c1-7-2-3-8(5-17-7)6-18-10-4-9(12(14,15)16)19-11(13)20-10/h2-5H,6H2,1H3,(H,18,19,20)
InChIKeyUKTRCSSMHBNSDM-UHFFFAOYSA-N
XLogP3.46
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.69
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562561
[3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol
CID 106197136
2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562494
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106038126
2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114156673
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562824
2-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80831369
2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562635
2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 82460854
2-chloro-6-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 114562739
2-ethyl-6-N-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80934553
4-N-[(4-methylphenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563927

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 114562584) is 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1ccc(CNc2cc(C(F)(F)F)nc(Cl)n2)cn1.
What is the InChIKey of 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UKTRCSSMHBNSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4/c1-7-2-3-8(5-17-7)6-18-10-4-9(12(14,15)16)19-11(13)20-10/h2-5H,6H2,1H3,(H,18,19,20).
What are the key properties of 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 302.69 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114562584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).