6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine

C16H17F2N3 — CID 63354131

IUPAC6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C16H17F2N3/c1-2-7-19-15-9-14(10-3-4-10)20-16(21-15)11-5-6-12(17)13(18)8-11/h5-6,8-10H,2-4,7H2,1H3,(H,19,20,21)
InChIKeyCEUWCRRLADLUNF-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.12
Rot. Bonds5

About 6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine

6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine (PubChem CID 63354131) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine
PubChem CID63354131
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C16H17F2N3/c1-2-7-19-15-9-14(10-3-4-10)20-16(21-15)11-5-6-12(17)13(18)8-11/h5-6,8-10H,2-4,7H2,1H3,(H,19,20,21)
InChIKeyCEUWCRRLADLUNF-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486675
6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 63479516
3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 63354599
6-cyclopropyl-2-(6-methoxy-3-pyridinyl)-N-propylpyrimidin-4-amine
CID 114938366
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine
CID 81273052
6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 63354580
4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine
CID 55203209
[6-cyclopropyl-2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]hydrazine
CID 63354408
2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63354301
6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 79784106
6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80948247
6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 63354762

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine (CID 63354131) is 6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine is CCCNc1cc(C2CC2)nc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine?
The InChIKey is CEUWCRRLADLUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3/c1-2-7-19-15-9-14(10-3-4-10)20-16(21-15)11-5-6-12(17)13(18)8-11/h5-6,8-10H,2-4,7H2,1H3,(H,19,20,21).
What are the key properties of 6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine?
6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine has a molecular weight of 289.33 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63354131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).