2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine

C12H13ClF3N3 — CID 114562672

IUPAC2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N(CC2CC2)C2CC2)nc(Cl)n1
InChIInChI=1S/C12H13ClF3N3/c13-11-17-9(12(14,15)16)5-10(18-11)19(8-3-4-8)6-7-1-2-7/h5,7-8H,1-4,6H2
InChIKeyMQYJAXPYHDKPER-UHFFFAOYSA-N
MW291.70 g/mol
LogP3.53
Rot. Bonds4

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

2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114562672) has the molecular formula C12H13ClF3N3 and a molecular weight of 291.70 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114562672
Molecular FormulaC12H13ClF3N3
Molecular Weight291.70 g/mol
Exact Mass291.08
IUPAC Name2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N(CC2CC2)C2CC2)nc(Cl)n1
InChIInChI=1S/C12H13ClF3N3/c13-11-17-9(12(14,15)16)5-10(18-11)19(8-3-4-8)6-7-1-2-7/h5,7-8H,1-4,6H2
InChIKeyMQYJAXPYHDKPER-UHFFFAOYSA-N
XLogP3.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562632
2-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562605
2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562925
6-N-cyclopropyl-6-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718663
6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)pyrazin-2-amine
CID 64522791
2-chloro-N-methyl-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562345
1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114951014
4-N-cyclopropyl-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564619
5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine
CID 64520424
3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine
CID 102751245
4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107403126
2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562240

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114562672) is 2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(N(CC2CC2)C2CC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is MQYJAXPYHDKPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3/c13-11-17-9(12(14,15)16)5-10(18-11)19(8-3-4-8)6-7-1-2-7/h5,7-8H,1-4,6H2.
What are the key properties of 2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 291.70 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114562672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).