[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone

C16H15N5O — CID 170985113

IUPAC[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(C(=O)c2ccccc2)n1
InChIInChI=1S/C16H15N5O/c1-10-8-13(18-14-9-11(2)20-21-14)19-16(17-10)15(22)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,18,19,20,21)
InChIKeyOGIFTOGSOXKPSA-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.79
Rot. Bonds4

About [4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone

[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone (PubChem CID 170985113) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is [4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone
PubChem CID170985113
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(C(=O)c2ccccc2)n1
InChIInChI=1S/C16H15N5O/c1-10-8-13(18-14-9-11(2)20-21-14)19-16(17-10)15(22)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,18,19,20,21)
InChIKeyOGIFTOGSOXKPSA-UHFFFAOYSA-N
XLogP2.79
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone?
The IUPAC name of [4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone (CID 170985113) is [4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone.
What is the SMILES notation for [4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone?
The canonical SMILES for [4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone is Cc1cc(Nc2cc(C)[nH]n2)nc(C(=O)c2ccccc2)n1.
What is the InChIKey of [4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone?
The InChIKey is OGIFTOGSOXKPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-10-8-13(18-14-9-11(2)20-21-14)19-16(17-10)15(22)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,18,19,20,21).
What are the key properties of [4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone?
[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone has a molecular weight of 293.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone is sourced from PubChem (CID 170985113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).