4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol

C13H22N4O — CID 102971029

IUPAC4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESCCCNc1cc(N2CCC(C)C(O)C2)ncn1
InChIInChI=1S/C13H22N4O/c1-3-5-14-12-7-13(16-9-15-12)17-6-4-10(2)11(18)8-17/h7,9-11,18H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyOBFLLFKIYCEPIH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.51
Rot. Bonds4

About 4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol

4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol (PubChem CID 102971029) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
PubChem CID102971029
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESCCCNc1cc(N2CCC(C)C(O)C2)ncn1
InChIInChI=1S/C13H22N4O/c1-3-5-14-12-7-13(16-9-15-12)17-6-4-10(2)11(18)8-17/h7,9-11,18H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyOBFLLFKIYCEPIH-UHFFFAOYSA-N
XLogP1.51
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine
CID 80831792
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80764701
1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 86797858
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82693758
8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80845359
1-[6-(ethylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674454
4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971251
N,N-dimethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188576
3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53188596
N-butyl-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95102904
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol (CID 102971029) is 4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol is CCCNc1cc(N2CCC(C)C(O)C2)ncn1.
What is the InChIKey of 4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is OBFLLFKIYCEPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-5-14-12-7-13(16-9-15-12)17-6-4-10(2)11(18)8-17/h7,9-11,18H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol?
4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 250.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 102971029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).