1-[2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol

C19H30N6O — CID 50967549

IUPAC1-[2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCc1nn(C(C)C)c(C)c1CN(C)c1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C19H30N6O/c1-13(2)25-15(4)17(14(3)22-25)12-23(5)19-20-9-8-18(21-19)24-10-6-7-16(26)11-24/h8-9,13,16,26H,6-7,10-12H2,1-5H3
InChIKeyTVSUEMSFUDLGBD-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.47
Rot. Bonds5

About 1-[2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol

1-[2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 50967549) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
PubChem CID50967549
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name1-[2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCc1nn(C(C)C)c(C)c1CN(C)c1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C19H30N6O/c1-13(2)25-15(4)17(14(3)22-25)12-23(5)19-20-9-8-18(21-19)24-10-6-7-16(26)11-24/h8-9,13,16,26H,6-7,10-12H2,1-5H3
InChIKeyTVSUEMSFUDLGBD-UHFFFAOYSA-N
XLogP2.47
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol with MolForge

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Related Compounds

1-[5-Methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol
CID 45248743
cis-3-(6-{4-[2-(1H-pyrazol-1-yl)ethyl]piperidin-1-yl}pyrimidin-4-yl)cyclobutanol
CID 91760497
[8-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-pyrimidinyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91910578
{8-[(1-Ethyl-3-methyl-1H-pyrazol-4-YL)methyl]-2-(pyrimidin-4-YL)-2,8-diazaspiro[4.5]decan-4-YL}methanol
CID 91921927
[8-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(4-pyrimidinyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91922284
(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
(3S)-1-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 164629338
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 50958743
4-(2-Cyclopropylpyrimidin-4-yl)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine
CID 75475427
2-[3-(1-{[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl}piperidin-3-yl)-1H-pyrazol-1-yl]ethanol
CID 119070450
2-[3-[(3R)-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126445564

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol (CID 50967549) is 1-[2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol is Cc1nn(C(C)C)c(C)c1CN(C)c1nccc(N2CCCC(O)C2)n1.
What is the InChIKey of 1-[2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is TVSUEMSFUDLGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-13(2)25-15(4)17(14(3)22-25)12-23(5)19-20-9-8-18(21-19)24-10-6-7-16(26)11-24/h8-9,13,16,26H,6-7,10-12H2,1-5H3.
What are the key properties of 1-[2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol?
1-[2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 358.49 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 50967549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).