1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol

C15H26N4O — CID 106839871

IUPAC1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
SMILESCCCNc1ncc(C)c(N2CCC(C(C)O)CC2)n1
InChIInChI=1S/C15H26N4O/c1-4-7-16-15-17-10-11(2)14(18-15)19-8-5-13(6-9-19)12(3)20/h10,12-13,20H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyIZHOHKZZBXPDSS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.20
Rot. Bonds5

About 1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol

1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol (PubChem CID 106839871) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
PubChem CID106839871
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
SMILESCCCNc1ncc(C)c(N2CCC(C(C)O)CC2)n1
InChIInChI=1S/C15H26N4O/c1-4-7-16-15-17-10-11(2)14(18-15)19-8-5-13(6-9-19)12(3)20/h10,12-13,20H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyIZHOHKZZBXPDSS-UHFFFAOYSA-N
XLogP2.20
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-Amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366465
5-Methyl-2-(piperidin-4-yloxy)pyrimidine
CID 63206054
1-{2-[(5-Ethyl-2-methylpyrimidin-4-YL)amino]ethyl}piperidin-4-OL
CID 50978918
[(3R*,4R*)-1-[(2-isopropylpyrimidin-5-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70724361
((3R*,4R*)-1-{[2-(ethylamino)pyrimidin-5-yl]methyl}-4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}pyrrolidin-3-yl)methanol
CID 72837174
1-({(3R*,4R*)-4-(hydroxymethyl)-1-[(2-isopropylpyrimidin-5-yl)methyl]pyrrolidin-3-yl}methyl)piperidin-4-ol
CID 72837645
1-[((3R*,4R*)-4-(hydroxymethyl)-1-{[2-(isopropylamino)pyrimidin-5-yl]methyl}pyrrolidin-3-yl)methyl]piperidin-4-ol
CID 72848374
(1-{3-[(5-Methylpyrimidin-2-YL)amino]propyl}piperidin-2-YL)methanol
CID 72882614
3-[4-(2-Amino-5-methylpyrimidin-4-YL)piperazin-1-YL]propan-1-OL
CID 72889129
1-[3-(Pyrimidin-2-ylamino)propyl]piperidin-4-OL
CID 72897179
[1-({(3R*,4R*)-4-(hydroxymethyl)-1-[(2-isopropylpyrimidin-5-yl)methyl]pyrrolidin-3-yl}methyl)piperidin-4-yl]methanol
CID 72898436
(1-{3-[(2-Amino-5-ethylpyrimidin-4-YL)amino]propyl}piperidin-2-YL)methanol
CID 72910877

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol (CID 106839871) is 1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol is CCCNc1ncc(C)c(N2CCC(C(C)O)CC2)n1.
What is the InChIKey of 1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol?
The InChIKey is IZHOHKZZBXPDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-7-16-15-17-10-11(2)14(18-15)19-8-5-13(6-9-19)12(3)20/h10,12-13,20H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol?
1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106839871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).