[4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol

C17H23N5O — CID 133314479

IUPAC[4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCCc1cc(N2CCC(N)(CO)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H23N5O/c1-2-14-11-15(22-9-5-17(18,12-23)6-10-22)21-16(20-14)13-3-7-19-8-4-13/h3-4,7-8,11,23H,2,5-6,9-10,12,18H2,1H3
InChIKeyGUUHIQUDZKLDPK-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.39
Rot. Bonds4

About [4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol

[4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol (PubChem CID 133314479) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is [4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol
PubChem CID133314479
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name[4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCCc1cc(N2CCC(N)(CO)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H23N5O/c1-2-14-11-15(22-9-5-17(18,12-23)6-10-22)21-16(20-14)13-3-7-19-8-4-13/h3-4,7-8,11,23H,2,5-6,9-10,12,18H2,1H3
InChIKeyGUUHIQUDZKLDPK-UHFFFAOYSA-N
XLogP1.39
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 166264524
2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349733
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 110277725
[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea
CID 133344995
[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95337185
2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile
CID 133497850
1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol
CID 133294882
4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295060
2,2-diethyl-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133496764
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 75396075
5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 133294642
7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 133327702

Frequently Asked Questions

What is the IUPAC name of [4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of [4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol (CID 133314479) is [4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for [4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol is CCc1cc(N2CCC(N)(CO)CC2)nc(-c2ccncc2)n1.
What is the InChIKey of [4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol?
The InChIKey is GUUHIQUDZKLDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-14-11-15(22-9-5-17(18,12-23)6-10-22)21-16(20-14)13-3-7-19-8-4-13/h3-4,7-8,11,23H,2,5-6,9-10,12,18H2,1H3.
What are the key properties of [4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol?
[4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol has a molecular weight of 313.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 133314479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).