1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol

C16H21N5O — CID 72879539

IUPAC1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
SMILESCCc1cnc(N)nc1N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C16H21N5O/c1-2-12-10-19-15(17)20-14(12)21-8-5-16(22,6-9-21)13-4-3-7-18-11-13/h3-4,7,10-11,22H,2,5-6,8-9H2,1H3,(H2,17,19,20)
InChIKeyUNBMGYGIYJDLNW-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.50
Rot. Bonds3

About 1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol

1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 72879539) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
PubChem CID72879539
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
SMILESCCc1cnc(N)nc1N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C16H21N5O/c1-2-12-10-19-15(17)20-14(12)21-8-5-16(22,6-9-21)13-4-3-7-18-11-13/h3-4,7,10-11,22H,2,5-6,8-9H2,1H3,(H2,17,19,20)
InChIKeyUNBMGYGIYJDLNW-UHFFFAOYSA-N
XLogP1.50
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine
CID 72890235
1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 72838612
1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
CID 135096791
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
(2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 155506874
5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 72856835
ethyl 3-hydroxy-3-pyridin-3-ylpyrrolidine-1-carboxylate
CID 86101343
[2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 72837169
1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
CID 135103015
1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol
CID 162057250
[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 137341507
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol (CID 72879539) is 1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol is CCc1cnc(N)nc1N1CCC(O)(c2cccnc2)CC1.
What is the InChIKey of 1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is UNBMGYGIYJDLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-12-10-19-15(17)20-14(12)21-8-5-16(22,6-9-21)13-4-3-7-18-11-13/h3-4,7,10-11,22H,2,5-6,8-9H2,1H3,(H2,17,19,20).
What are the key properties of 1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol?
1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 299.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 72879539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).