1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol

C13H22N4O — CID 106839793

IUPAC1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol
SMILESCCc1c(N)ncnc1N1CCC(C(C)O)CC1
InChIInChI=1S/C13H22N4O/c1-3-11-12(14)15-8-16-13(11)17-6-4-10(5-7-17)9(2)18/h8-10,18H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyNXJCKVQKIDACAA-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.22
Rot. Bonds3

About 1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol

1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol (PubChem CID 106839793) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol
PubChem CID106839793
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol
SMILESCCc1c(N)ncnc1N1CCC(C(C)O)CC1
InChIInChI=1S/C13H22N4O/c1-3-11-12(14)15-8-16-13(11)17-6-4-10(5-7-17)9(2)18/h8-10,18H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyNXJCKVQKIDACAA-UHFFFAOYSA-N
XLogP1.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(dimethylamino)piperidin-1-yl]-5-ethylpyrimidin-4-amine
CID 80793674
2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82693650
methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate
CID 141092846
1-[1-(6-hydrazinyl-5-propylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106839925
1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112626332
1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967433
1-[1-(7-aminoquinazolin-4-yl)piperidin-4-yl]ethanol
CID 106835289
N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
CID 103504582
4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 89442517
1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol
CID 103773457
5-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80797287
6-(4-propan-2-ylpiperazin-1-yl)-5-propylpyrimidin-4-amine
CID 80792850

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol (CID 106839793) is 1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol is CCc1c(N)ncnc1N1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol?
The InChIKey is NXJCKVQKIDACAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-11-12(14)15-8-16-13(11)17-6-4-10(5-7-17)9(2)18/h8-10,18H,3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol?
1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol has a molecular weight of 250.35 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 106839793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).