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

C12H14F3N5 — CID 56868741

IUPACN-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCc1cc(CNc2nccc(CCC(F)(F)F)n2)n[nH]1
InChIInChI=1S/C12H14F3N5/c1-8-6-10(20-19-8)7-17-11-16-5-3-9(18-11)2-4-12(13,14)15/h3,5-6H,2,4,7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyHHYQYEWNSKBGJT-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.62
Rot. Bonds5

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

N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56868741) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56868741
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCc1cc(CNc2nccc(CCC(F)(F)F)n2)n[nH]1
InChIInChI=1S/C12H14F3N5/c1-8-6-10(20-19-8)7-17-11-16-5-3-9(18-11)2-4-12(13,14)15/h3,5-6H,2,4,7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyHHYQYEWNSKBGJT-UHFFFAOYSA-N
XLogP2.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56868741) is N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is Cc1cc(CNc2nccc(CCC(F)(F)F)n2)n[nH]1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is HHYQYEWNSKBGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-8-6-10(20-19-8)7-17-11-16-5-3-9(18-11)2-4-12(13,14)15/h3,5-6H,2,4,7H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 285.27 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56868741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).