2-cyclopropyl-6-N,5-dimethyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C14H21F3N4 — CID 80983608

IUPAC2-cyclopropyl-6-N,5-dimethyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCN(CC(F)(F)F)c1nc(C2CC2)nc(NC)c1C
InChIInChI=1S/C14H21F3N4/c1-4-7-21(8-14(15,16)17)13-9(2)11(18-3)19-12(20-13)10-5-6-10/h10H,4-8H2,1-3H3,(H,18,19,20)
InChIKeyMBOIRYWFHMYKKG-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.48
Rot. Bonds6

About 2-cyclopropyl-6-N,5-dimethyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

2-cyclopropyl-6-N,5-dimethyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80983608) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-N,5-dimethyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N,5-dimethyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80983608
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name2-cyclopropyl-6-N,5-dimethyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCN(CC(F)(F)F)c1nc(C2CC2)nc(NC)c1C
InChIInChI=1S/C14H21F3N4/c1-4-7-21(8-14(15,16)17)13-9(2)11(18-3)19-12(20-13)10-5-6-10/h10H,4-8H2,1-3H3,(H,18,19,20)
InChIKeyMBOIRYWFHMYKKG-UHFFFAOYSA-N
XLogP3.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N,5-dimethyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N,5-dimethyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80983608) is 2-cyclopropyl-6-N,5-dimethyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N,5-dimethyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N,5-dimethyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCN(CC(F)(F)F)c1nc(C2CC2)nc(NC)c1C.
What is the InChIKey of 2-cyclopropyl-6-N,5-dimethyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is MBOIRYWFHMYKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-4-7-21(8-14(15,16)17)13-9(2)11(18-3)19-12(20-13)10-5-6-10/h10H,4-8H2,1-3H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-6-N,5-dimethyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N,5-dimethyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 302.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N,5-dimethyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80983608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).