4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol

C16H28N4O — CID 102971251

IUPAC4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESCCCNc1ncnc(N2CCC(C)C(O)C2)c1CCC
InChIInChI=1S/C16H28N4O/c1-4-6-13-15(17-8-5-2)18-11-19-16(13)20-9-7-12(3)14(21)10-20/h11-12,14,21H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyOMZWYAKUTRZNAF-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.46
Rot. Bonds6

About 4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol

4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol (PubChem CID 102971251) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
PubChem CID102971251
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESCCCNc1ncnc(N2CCC(C)C(O)C2)c1CCC
InChIInChI=1S/C16H28N4O/c1-4-6-13-15(17-8-5-2)18-11-19-16(13)20-9-7-12(3)14(21)10-20/h11-12,14,21H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyOMZWYAKUTRZNAF-UHFFFAOYSA-N
XLogP2.46
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756838
1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971284
1-(6-hydrazinyl-5-propylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114684050
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674538
1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80823831
1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963157
6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80798586
3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 114684012
1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967433
4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971029
6-(2-methylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80766937
4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile
CID 80837574

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol (CID 102971251) is 4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol is CCCNc1ncnc(N2CCC(C)C(O)C2)c1CCC.
What is the InChIKey of 4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is OMZWYAKUTRZNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-6-13-15(17-8-5-2)18-11-19-16(13)20-9-7-12(3)14(21)10-20/h11-12,14,21H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol?
4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 292.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 102971251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).