N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine

C19H19F3N6 — CID 166432019

IUPACN-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCn1cc(N2CCC(Nc3cc(C(F)(F)F)nc(-c4ccccc4)n3)C2)cn1
InChIInChI=1S/C19H19F3N6/c1-27-12-15(10-23-27)28-8-7-14(11-28)24-17-9-16(19(20,21)22)25-18(26-17)13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,24,25,26)
InChIKeyNWORVVZCTVWLRF-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.59
Rot. Bonds4

About N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine

N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 166432019) has the molecular formula C19H19F3N6 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID166432019
Molecular FormulaC19H19F3N6
Molecular Weight388.40 g/mol
Exact Mass388.16
IUPAC NameN-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCn1cc(N2CCC(Nc3cc(C(F)(F)F)nc(-c4ccccc4)n3)C2)cn1
InChIInChI=1S/C19H19F3N6/c1-27-12-15(10-23-27)28-8-7-14(11-28)24-17-9-16(19(20,21)22)25-18(26-17)13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,24,25,26)
InChIKeyNWORVVZCTVWLRF-UHFFFAOYSA-N
XLogP3.59
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 166432019) is N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine is Cn1cc(N2CCC(Nc3cc(C(F)(F)F)nc(-c4ccccc4)n3)C2)cn1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is NWORVVZCTVWLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6/c1-27-12-15(10-23-27)28-8-7-14(11-28)24-17-9-16(19(20,21)22)25-18(26-17)13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,24,25,26).
What are the key properties of N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 388.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 166432019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).