6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride

C12H21ClN4O — CID 66569692

IUPAC6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
SMILESCCOc1cc(NCC2CCCNC2)ncn1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-2-17-12-6-11(15-9-16-12)14-8-10-4-3-5-13-7-10;/h6,9-10,13H,2-5,7-8H2,1H3,(H,14,15,16);1H
InChIKeyOWAVLPHEWPYZEW-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.71
Rot. Bonds5

About 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride

6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride (PubChem CID 66569692) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
PubChem CID66569692
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
SMILESCCOc1cc(NCC2CCCNC2)ncn1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-2-17-12-6-11(15-9-16-12)14-8-10-4-3-5-13-7-10;/h6,9-10,13H,2-5,7-8H2,1H3,(H,14,15,16);1H
InChIKeyOWAVLPHEWPYZEW-UHFFFAOYSA-N
XLogP1.71
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 66319233
6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 86318064
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine
CID 106128479
4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 112634792
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236
3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66331001
4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526419
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 66569768
6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 66319466
6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 66329019
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71638558

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride (CID 66569692) is 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride is CCOc1cc(NCC2CCCNC2)ncn1.Cl.
What is the InChIKey of 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride?
The InChIKey is OWAVLPHEWPYZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.ClH/c1-2-17-12-6-11(15-9-16-12)14-8-10-4-3-5-13-7-10;/h6,9-10,13H,2-5,7-8H2,1H3,(H,14,15,16);1H.
What are the key properties of 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride?
6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 66569692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).