6-chloro-5-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C10H13ClF3N3 — CID 55229131

IUPAC6-chloro-5-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCCC(F)(F)F
InChIInChI=1S/C10H13ClF3N3/c1-2-3-7-8(11)16-6-17-9(7)15-5-4-10(12,13)14/h6H,2-5H2,1H3,(H,15,16,17)
InChIKeyPHFGIOLNCRZTJV-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.45
Rot. Bonds5

About 6-chloro-5-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine

6-chloro-5-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 55229131) has the molecular formula C10H13ClF3N3 and a molecular weight of 267.68 g/mol. Its IUPAC name is 6-chloro-5-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID55229131
Molecular FormulaC10H13ClF3N3
Molecular Weight267.68 g/mol
Exact Mass267.08
IUPAC Name6-chloro-5-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCCC(F)(F)F
InChIInChI=1S/C10H13ClF3N3/c1-2-3-7-8(11)16-6-17-9(7)15-5-4-10(12,13)14/h6H,2-5H2,1H3,(H,15,16,17)
InChIKeyPHFGIOLNCRZTJV-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 55229131) is 6-chloro-5-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CCCc1c(Cl)ncnc1NCCC(F)(F)F.
What is the InChIKey of 6-chloro-5-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is PHFGIOLNCRZTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3/c1-2-3-7-8(11)16-6-17-9(7)15-5-4-10(12,13)14/h6H,2-5H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-5-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
6-chloro-5-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 267.68 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 55229131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).