N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C19H14F3N5O — CID 10221674

IUPACN-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H14F3N5O/c1-11-9-16(24-17-10-14(26-27-17)15-3-2-8-28-15)25-18(23-11)12-4-6-13(7-5-12)19(20,21)22/h2-10H,1H3,(H2,23,24,25,26,27)
InChIKeyHHRXCLBXJDHQRW-UHFFFAOYSA-N
MW385.35 g/mol
LogP5.20
Rot. Bonds4

About N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 10221674) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID10221674
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC NameN-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H14F3N5O/c1-11-9-16(24-17-10-14(26-27-17)15-3-2-8-28-15)25-18(23-11)12-4-6-13(7-5-12)19(20,21)22/h2-10H,1H3,(H2,23,24,25,26,27)
InChIKeyHHRXCLBXJDHQRW-UHFFFAOYSA-N
XLogP5.20
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.35
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 10221674) is N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is HHRXCLBXJDHQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-11-9-16(24-17-10-14(26-27-17)15-3-2-8-28-15)25-18(23-11)12-4-6-13(7-5-12)19(20,21)22/h2-10H,1H3,(H2,23,24,25,26,27).
What are the key properties of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 385.35 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 10221674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).