[1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol

C13H22N4O — CID 80757736

IUPAC[1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCCNc1cc(N2CCC(CO)CC2)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-3-14-12-8-13(16-10(2)15-12)17-6-4-11(9-18)5-7-17/h8,11,18H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyJJCHGDCEUCWARN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.43
Rot. Bonds4

About [1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol

[1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 80757736) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol
PubChem CID80757736
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCCNc1cc(N2CCC(CO)CC2)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-3-14-12-8-13(16-10(2)15-12)17-6-4-11(9-18)5-7-17/h8,11,18H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyJJCHGDCEUCWARN-UHFFFAOYSA-N
XLogP1.43
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(4-methoxypiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 80783406
N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847527
cyclopropyl-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122351619
N-ethyl-6-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80960827
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol
CID 81218197
N-ethyl-2-propyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80941270
[1-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 80967620
[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122351747
N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80944664
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine
CID 112867912

Frequently Asked Questions

What is the IUPAC name of [1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol (CID 80757736) is [1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol is CCNc1cc(N2CCC(CO)CC2)nc(C)n1.
What is the InChIKey of [1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is JJCHGDCEUCWARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-14-12-8-13(16-10(2)15-12)17-6-4-11(9-18)5-7-17/h8,11,18H,3-7,9H2,1-2H3,(H,14,15,16).
What are the key properties of [1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol?
[1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 250.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 80757736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).