6-chloro-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C12H17ClF3N3 — CID 63730358

IUPAC6-chloro-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H17ClF3N3/c1-4-5-9-10(13)17-7-18-11(9)19(8(2)3)6-12(14,15)16/h7-8H,4-6H2,1-3H3
InChIKeyRDBPIIWCCWYESS-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.86
Rot. Bonds5

About 6-chloro-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-chloro-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 63730358) has the molecular formula C12H17ClF3N3 and a molecular weight of 295.74 g/mol. Its IUPAC name is 6-chloro-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID63730358
Molecular FormulaC12H17ClF3N3
Molecular Weight295.74 g/mol
Exact Mass295.11
IUPAC Name6-chloro-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H17ClF3N3/c1-4-5-9-10(13)17-7-18-11(9)19(8(2)3)6-12(14,15)16/h7-8H,4-6H2,1-3H3
InChIKeyRDBPIIWCCWYESS-UHFFFAOYSA-N
XLogP3.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 63730358) is 6-chloro-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCCc1c(Cl)ncnc1N(CC(F)(F)F)C(C)C.
What is the InChIKey of 6-chloro-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is RDBPIIWCCWYESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N3/c1-4-5-9-10(13)17-7-18-11(9)19(8(2)3)6-12(14,15)16/h7-8H,4-6H2,1-3H3.
What are the key properties of 6-chloro-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 295.74 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 63730358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).