1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]piperidin-4-ol

C17H26N6O — CID 50969021

IUPAC1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]piperidin-4-ol
SMILESCc1cc(C)n(CCCNc2nccc(N3CCC(O)CC3)n2)n1
InChIInChI=1S/C17H26N6O/c1-13-12-14(2)23(21-13)9-3-7-18-17-19-8-4-16(20-17)22-10-5-15(24)6-11-22/h4,8,12,15,24H,3,5-7,9-11H2,1-2H3,(H,18,19,20)
InChIKeyZSNMUSAOYJACON-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.75
Rot. Bonds6

About 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]piperidin-4-ol

1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 50969021) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]piperidin-4-ol
PubChem CID50969021
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]piperidin-4-ol
SMILESCc1cc(C)n(CCCNc2nccc(N3CCC(O)CC3)n2)n1
InChIInChI=1S/C17H26N6O/c1-13-12-14(2)23(21-13)9-3-7-18-17-19-8-4-16(20-17)22-10-5-15(24)6-11-22/h4,8,12,15,24H,3,5-7,9-11H2,1-2H3,(H,18,19,20)
InChIKeyZSNMUSAOYJACON-UHFFFAOYSA-N
XLogP1.75
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53582293
1-[(5-Ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 56815285
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 72142623
cis-3-(6-{4-[2-(1H-pyrazol-1-yl)ethyl]piperidin-1-yl}pyrimidin-4-yl)cyclobutanol
CID 91760497
Cambridge id 5256691
CID 3831905
6-(3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 50830676
4-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 53172454
N~4~-[(5-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidine-2,4-diamine
CID 70762599
(3S)-1-[2-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-yl]piperidin-3-ol
CID 95870797
(3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol
CID 125446257
2-({6-[[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl](methyl)amino]pyrimidin-4-yl}amino)ethanol
CID 132411042
(3S)-1-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 164629338

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]piperidin-4-ol (CID 50969021) is 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]piperidin-4-ol is Cc1cc(C)n(CCCNc2nccc(N3CCC(O)CC3)n2)n1.
What is the InChIKey of 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is ZSNMUSAOYJACON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-13-12-14(2)23(21-13)9-3-7-18-17-19-8-4-16(20-17)22-10-5-15(24)6-11-22/h4,8,12,15,24H,3,5-7,9-11H2,1-2H3,(H,18,19,20).
What are the key properties of 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]piperidin-4-ol?
1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 330.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 50969021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).