3-[6-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol

C16H23N5O — CID 91763096

IUPAC3-[6-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cc(C)n(CCCNc2cc(C3CC(O)C3)ncn2)n1
InChIInChI=1S/C16H23N5O/c1-11-6-12(2)21(20-11)5-3-4-17-16-9-15(18-10-19-16)13-7-14(22)8-13/h6,9-10,13-14,22H,3-5,7-8H2,1-2H3,(H,17,18,19)
InChIKeyALOMSEHUDJVMKP-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.03
Rot. Bonds6

About 3-[6-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91763096) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[6-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91763096
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-[6-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cc(C)n(CCCNc2cc(C3CC(O)C3)ncn2)n1
InChIInChI=1S/C16H23N5O/c1-11-6-12(2)21(20-11)5-3-4-17-16-9-15(18-10-19-16)13-7-14(22)8-13/h6,9-10,13-14,22H,3-5,7-8H2,1-2H3,(H,17,18,19)
InChIKeyALOMSEHUDJVMKP-UHFFFAOYSA-N
XLogP2.03
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(3,5-Dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 166627647
[4-[[2-(3,5-Dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]methanol
CID 166635713
2-[[2-Methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol
CID 46974182
3-(2-methyl-6-{[2-(1H-pyrazol-3-yl)ethyl]amino}pyrimidin-4-yl)cyclobutanol
CID 91761641
3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91792889
cis-3-(6-{4-[2-(1H-pyrazol-1-yl)ethyl]piperidin-1-yl}pyrimidin-4-yl)cyclobutanol
CID 91760497
3-{2-methyl-6-[4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl}cyclobutanol
CID 91771160
cis-3-(6-{methyl[(5-methyl-1H-pyrazol-3-yl)methyl]amino}pyrimidin-4-yl)cyclobutanol
CID 91772858
cis-3-{6-[{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}(methyl)amino]pyrimidin-4-yl}cyclobutanol
CID 91777521
3-{6-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]pyrimidin-4-yl}cyclobutanol
CID 91779167
cis-3-[2-amino-6-({2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}amino)pyrimidin-4-yl]cyclobutanol
CID 91787120
3-{6-[3-(3,5-dimethyl-1H-pyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl}cyclobutanol
CID 91797710

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91763096) is 3-[6-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1cc(C)n(CCCNc2cc(C3CC(O)C3)ncn2)n1.
What is the InChIKey of 3-[6-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is ALOMSEHUDJVMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11-6-12(2)21(20-11)5-3-4-17-16-9-15(18-10-19-16)13-7-14(22)8-13/h6,9-10,13-14,22H,3-5,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 3-[6-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 301.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91763096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).