N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C14H18F3N5 — CID 56868426

IUPACN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCc1cc(CC(C)Nc2nccc(CCC(F)(F)F)n2)n[nH]1
InChIInChI=1S/C14H18F3N5/c1-9(7-12-8-10(2)21-22-12)19-13-18-6-4-11(20-13)3-5-14(15,16)17/h4,6,8-9H,3,5,7H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyQQKPPJCJYTYFMP-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.05
Rot. Bonds6

About N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56868426) has the molecular formula C14H18F3N5 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56868426
Molecular FormulaC14H18F3N5
Molecular Weight313.33 g/mol
Exact Mass313.15
IUPAC NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCc1cc(CC(C)Nc2nccc(CCC(F)(F)F)n2)n[nH]1
InChIInChI=1S/C14H18F3N5/c1-9(7-12-8-10(2)21-22-12)19-13-18-6-4-11(20-13)3-5-14(15,16)17/h4,6,8-9H,3,5,7H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyQQKPPJCJYTYFMP-UHFFFAOYSA-N
XLogP3.05
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56868426) is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is Cc1cc(CC(C)Nc2nccc(CCC(F)(F)F)n2)n[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is QQKPPJCJYTYFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5/c1-9(7-12-8-10(2)21-22-12)19-13-18-6-4-11(20-13)3-5-14(15,16)17/h4,6,8-9H,3,5,7H2,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 313.33 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56868426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).