4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one

C16H18N6O — CID 131962566

IUPAC4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one
SMILESCc1cc(NCCCC2C=NNC2=O)nc(-c2ccccn2)n1
InChIInChI=1S/C16H18N6O/c1-11-9-14(18-8-4-5-12-10-19-22-16(12)23)21-15(20-11)13-6-2-3-7-17-13/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H,22,23)(H,18,20,21)
InChIKeyWYJBWJLAIFWXTG-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.77
Rot. Bonds6

About 4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one

4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one (PubChem CID 131962566) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one
PubChem CID131962566
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one
SMILESCc1cc(NCCCC2C=NNC2=O)nc(-c2ccccn2)n1
InChIInChI=1S/C16H18N6O/c1-11-9-14(18-8-4-5-12-10-19-22-16(12)23)21-15(20-11)13-6-2-3-7-17-13/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H,22,23)(H,18,20,21)
InChIKeyWYJBWJLAIFWXTG-UHFFFAOYSA-N
XLogP1.77
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one with MolForge

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 166196115
N,6-dipropyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62192681
3-[(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)amino]propan-1-ol
CID 5069912
N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 4050048
(3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 97069290
(2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122062861
N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 97218088
3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963309
N-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 22732468
(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methanol
CID 62743365
2-methoxy-N-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62744312
3-[[6-(2-phenylethylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963655

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one?
The IUPAC name of 4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one (CID 131962566) is 4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one?
The canonical SMILES for 4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one is Cc1cc(NCCCC2C=NNC2=O)nc(-c2ccccn2)n1.
What is the InChIKey of 4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one?
The InChIKey is WYJBWJLAIFWXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11-9-14(18-8-4-5-12-10-19-22-16(12)23)21-15(20-11)13-6-2-3-7-17-13/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H,22,23)(H,18,20,21).
What are the key properties of 4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one?
4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one has a molecular weight of 310.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 131962566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).