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

C14H21F3N4 — CID 80789540

IUPAC4-N-cyclopropyl-2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(N(CC(F)(F)F)C2CC2)c1C
InChIInChI=1S/C14H21F3N4/c1-4-7-18-12-9(2)13(20-10(3)19-12)21(11-5-6-11)8-14(15,16)17/h11H,4-8H2,1-3H3,(H,18,19,20)
InChIKeyWNKZYFRLYVLHNJ-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.45
Rot. Bonds6

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

4-N-cyclopropyl-2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80789540) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-N-cyclopropyl-2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80789540
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name4-N-cyclopropyl-2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(N(CC(F)(F)F)C2CC2)c1C
InChIInChI=1S/C14H21F3N4/c1-4-7-18-12-9(2)13(20-10(3)19-12)21(11-5-6-11)8-14(15,16)17/h11H,4-8H2,1-3H3,(H,18,19,20)
InChIKeyWNKZYFRLYVLHNJ-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80789540) is 4-N-cyclopropyl-2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCNc1nc(C)nc(N(CC(F)(F)F)C2CC2)c1C.
What is the InChIKey of 4-N-cyclopropyl-2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is WNKZYFRLYVLHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-4-7-18-12-9(2)13(20-10(3)19-12)21(11-5-6-11)8-14(15,16)17/h11H,4-8H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-cyclopropyl-2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
4-N-cyclopropyl-2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 302.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80789540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).