3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol

C16H28N4O — CID 114684012

IUPAC3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
SMILESCCCNc1ncnc(N2CCC(O)C(C)C2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-5-7-17-15-14(11(2)3)16(19-10-18-15)20-8-6-13(21)12(4)9-20/h10-13,21H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyWDSNENKXBGCBJM-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.63
Rot. Bonds5

About 3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol

3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 114684012) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
PubChem CID114684012
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
SMILESCCCNc1ncnc(N2CCC(O)C(C)C2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-5-7-17-15-14(11(2)3)16(19-10-18-15)20-8-6-13(21)12(4)9-20/h10-13,21H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyWDSNENKXBGCBJM-UHFFFAOYSA-N
XLogP2.63
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967468
6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102971484
1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114683982
6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80749906
4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971251
N-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 102971342
6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80855091
1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80823831
1-(6-hydrazinyl-5-propylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114684050
1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967433
N-ethyl-6-(4-ethylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80795362
2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811423

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol (CID 114684012) is 3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol is CCCNc1ncnc(N2CCC(O)C(C)C2)c1C(C)C.
What is the InChIKey of 3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is WDSNENKXBGCBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-7-17-15-14(11(2)3)16(19-10-18-15)20-8-6-13(21)12(4)9-20/h10-13,21H,5-9H2,1-4H3,(H,17,18,19).
What are the key properties of 3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol?
3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 292.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 114684012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).