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

C16H19F2N3 — CID 80948247

IUPAC6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc(F)c(F)c2)nc(C(C)C)n1
InChIInChI=1S/C16H19F2N3/c1-4-7-19-15-9-14(20-16(21-15)10(2)3)11-5-6-12(17)13(18)8-11/h5-6,8-10H,4,7H2,1-3H3,(H,19,20,21)
InChIKeySKQFXSSHRMBNPL-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.37
Rot. Bonds5

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

6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80948247) has the molecular formula C16H19F2N3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80948247
Molecular FormulaC16H19F2N3
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc(F)c(F)c2)nc(C(C)C)n1
InChIInChI=1S/C16H19F2N3/c1-4-7-19-15-9-14(20-16(21-15)10(2)3)11-5-6-12(17)13(18)8-11/h5-6,8-10H,4,7H2,1-3H3,(H,19,20,21)
InChIKeySKQFXSSHRMBNPL-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952017
6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80949110
6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 115503957
6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80948337
2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
CID 103341934
6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952418
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80963405
6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine
CID 63354131
2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80955543

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 80948247) is 6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(-c2ccc(F)c(F)c2)nc(C(C)C)n1.
What is the InChIKey of 6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is SKQFXSSHRMBNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-4-7-19-15-9-14(20-16(21-15)10(2)3)11-5-6-12(17)13(18)8-11/h5-6,8-10H,4,7H2,1-3H3,(H,19,20,21).
What are the key properties of 6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 291.35 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80948247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).