N-(1-pyrazol-1-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C13H16F3N5 — CID 56917933

IUPACN-(1-pyrazol-1-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCC(Cn1cccn1)Nc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C13H16F3N5/c1-10(9-21-8-2-6-18-21)19-12-17-7-4-11(20-12)3-5-13(14,15)16/h2,4,6-8,10H,3,5,9H2,1H3,(H,17,19,20)
InChIKeyGGKVNGMQOXAWOG-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.67
Rot. Bonds6

About N-(1-pyrazol-1-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-(1-pyrazol-1-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56917933) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is N-(1-pyrazol-1-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-pyrazol-1-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56917933
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC NameN-(1-pyrazol-1-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCC(Cn1cccn1)Nc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C13H16F3N5/c1-10(9-21-8-2-6-18-21)19-12-17-7-4-11(20-12)3-5-13(14,15)16/h2,4,6-8,10H,3,5,9H2,1H3,(H,17,19,20)
InChIKeyGGKVNGMQOXAWOG-UHFFFAOYSA-N
XLogP2.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56917933) is N-(1-pyrazol-1-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-pyrazol-1-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-(1-pyrazol-1-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is CC(Cn1cccn1)Nc1nccc(CCC(F)(F)F)n1.
What is the InChIKey of N-(1-pyrazol-1-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is GGKVNGMQOXAWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-10(9-21-8-2-6-18-21)19-12-17-7-4-11(20-12)3-5-13(14,15)16/h2,4,6-8,10H,3,5,9H2,1H3,(H,17,19,20).
What are the key properties of N-(1-pyrazol-1-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-(1-pyrazol-1-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 299.30 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazol-1-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56917933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).