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

C16H28N4O — CID 80981249

IUPAC1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
SMILESCCCNc1nc(CCC)nc(N2CCC(O)CC2)c1C
InChIInChI=1S/C16H28N4O/c1-4-6-14-18-15(17-9-5-2)12(3)16(19-14)20-10-7-13(21)8-11-20/h13,21H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyFDPWCQZSWXSCPS-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.52
Rot. Bonds6

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

1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 80981249) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
PubChem CID80981249
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
SMILESCCCNc1nc(CCC)nc(N2CCC(O)CC2)c1C
InChIInChI=1S/C16H28N4O/c1-4-6-14-18-15(17-9-5-2)12(3)16(19-14)20-10-7-13(21)8-11-20/h13,21H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyFDPWCQZSWXSCPS-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol
CID 80764591
1-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683989
1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 80779109
6-[4-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80984787
6-(2-ethylimidazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80991668
1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80823831
[1-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
CID 102789896
4-N-cyclobutyl-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80982309
1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674594
6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80823095
1-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 81006896
1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683955

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol (CID 80981249) is 1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol is CCCNc1nc(CCC)nc(N2CCC(O)CC2)c1C.
What is the InChIKey of 1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is FDPWCQZSWXSCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-6-14-18-15(17-9-5-2)12(3)16(19-14)20-10-7-13(21)8-11-20/h13,21H,4-11H2,1-3H3,(H,17,18,19).
What are the key properties of 1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol?
1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 292.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 80981249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).