N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine

C14H14F3N3 — CID 80946552

IUPACN-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
SMILESCCCc1nc(NC)cc(-c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C14H14F3N3/c1-3-4-12-19-11(7-13(18-2)20-12)8-5-9(15)14(17)10(16)6-8/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyQPOBGCLHVFXBBV-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.56
Rot. Bonds4

About N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine

N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine (PubChem CID 80946552) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
PubChem CID80946552
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC NameN-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
SMILESCCCc1nc(NC)cc(-c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C14H14F3N3/c1-3-4-12-19-11(7-13(18-2)20-12)8-5-9(15)14(17)10(16)6-8/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyQPOBGCLHVFXBBV-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 82822927
N-methyl-6-phenyl-2-propylpyrimidin-4-amine
CID 55045530
N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80940706
6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946081
6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 113324696
6-(3-methoxyphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946276
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
2-butyl-N-methyl-6-phenylpyrimidin-4-amine
CID 79412255
N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine
CID 80945811
6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80940244
6-(furan-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80945903

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine (CID 80946552) is N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine is CCCc1nc(NC)cc(-c2cc(F)c(F)c(F)c2)n1.
What is the InChIKey of N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The InChIKey is QPOBGCLHVFXBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-3-4-12-19-11(7-13(18-2)20-12)8-5-9(15)14(17)10(16)6-8/h5-7H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine has a molecular weight of 281.28 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 80946552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).