1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride

C12H21ClN4O — CID 66569687

IUPAC1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride
SMILESCCOc1cc(N2CCC(NC)CC2)ncn1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-3-17-12-8-11(14-9-15-12)16-6-4-10(13-2)5-7-16;/h8-10,13H,3-7H2,1-2H3;1H
InChIKeyQBKZULMZCAGHSV-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.49
Rot. Bonds4

About 1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride

1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride (PubChem CID 66569687) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride
PubChem CID66569687
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride
SMILESCCOc1cc(N2CCC(NC)CC2)ncn1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-3-17-12-8-11(14-9-15-12)16-6-4-10(13-2)5-7-16;/h8-10,13H,3-7H2,1-2H3;1H
InChIKeyQBKZULMZCAGHSV-UHFFFAOYSA-N
XLogP1.49
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine, 2,4-diamino-6-(2-(diethylamino)ethoxy)-
CID 202117
4-Methoxy-6-(piperazin-1-yl)pyrimidine
CID 45789017
4-N-butyl-6-methoxypyrimidine-2,4-diamine
CID 103817396
4-Ethoxy-2-(piperazin-1-yl)pyrimidine
CID 17855548
6-(2-Methylpropoxy)pyrimidin-4-amine
CID 68058468
4-Isobutoxy-2,6-diisobutylamino-pyrimidine
CID 25129161
2-[2-[4-[2-(Dimethylamino)ethoxy]-6-(2-methoxyethylamino)pyrimidin-2-yl]oxyethyl]guanidine;hydrochloride
CID 44577031
2-[3-[4-[2-(Dimethylamino)ethoxy]-6-(2-methoxyethylamino)pyrimidin-2-yl]oxypropyl]guanidine;hydrochloride
CID 44577033
6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
CID 44577416
2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 44577491
2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 44577492
4-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-6-isopropoxypyrimidin-2-amine
CID 50972422

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride (CID 66569687) is 1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride is CCOc1cc(N2CCC(NC)CC2)ncn1.Cl.
What is the InChIKey of 1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride?
The InChIKey is QBKZULMZCAGHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.ClH/c1-3-17-12-8-11(14-9-15-12)16-6-4-10(13-2)5-7-16;/h8-10,13H,3-7H2,1-2H3;1H.
What are the key properties of 1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride?
1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 66569687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).