N-(cyclohexylmethyl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine

C15H20F3N3 — CID 52680351

IUPACN-(cyclohexylmethyl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(N(CC2CCCCC2)C2CC2)n1
InChIInChI=1S/C15H20F3N3/c16-15(17,18)13-8-9-19-14(20-13)21(12-6-7-12)10-11-4-2-1-3-5-11/h8-9,11-12H,1-7,10H2
InChIKeySERXGAXYKNGWKJ-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.04
Rot. Bonds4

About N-(cyclohexylmethyl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine

N-(cyclohexylmethyl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 52680351) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID52680351
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC NameN-(cyclohexylmethyl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(N(CC2CCCCC2)C2CC2)n1
InChIInChI=1S/C15H20F3N3/c16-15(17,18)13-8-9-19-14(20-13)21(12-6-7-12)10-11-4-2-1-3-5-11/h8-9,11-12H,1-7,10H2
InChIKeySERXGAXYKNGWKJ-UHFFFAOYSA-N
XLogP4.04
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine (CID 52680351) is N-(cyclohexylmethyl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(N(CC2CCCCC2)C2CC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is SERXGAXYKNGWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c16-15(17,18)13-8-9-19-14(20-13)21(12-6-7-12)10-11-4-2-1-3-5-11/h8-9,11-12H,1-7,10H2.
What are the key properties of N-(cyclohexylmethyl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine?
N-(cyclohexylmethyl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 299.34 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 52680351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).