N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine

C11H16F3N3 — CID 172706958

IUPACN,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine
SMILESCCCN(CCC)c1cncnc1C(F)(F)F
InChIInChI=1S/C11H16F3N3/c1-3-5-17(6-4-2)9-7-15-8-16-10(9)11(12,13)14/h7-8H,3-6H2,1-2H3
InChIKeyDSHLVRKAMLERGN-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.12
Rot. Bonds5

About N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine

N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 172706958) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine
PubChem CID172706958
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC NameN,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine
SMILESCCCN(CCC)c1cncnc1C(F)(F)F
InChIInChI=1S/C11H16F3N3/c1-3-5-17(6-4-2)9-7-15-8-16-10(9)11(12,13)14/h7-8H,3-6H2,1-2H3
InChIKeyDSHLVRKAMLERGN-UHFFFAOYSA-N
XLogP3.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine (CID 172706958) is N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine is CCCN(CCC)c1cncnc1C(F)(F)F.
What is the InChIKey of N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is DSHLVRKAMLERGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-3-5-17(6-4-2)9-7-15-8-16-10(9)11(12,13)14/h7-8H,3-6H2,1-2H3.
What are the key properties of N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine?
N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 247.26 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 172706958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).