2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride

C19H25ClN4O2 — CID 142686934

IUPAC2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride
SMILESCl.Nc1nc(-c2c(O)cccc2OCC2CC2)cc(C2CCCNC2)n1
InChIInChI=1S/C19H24N4O2.ClH/c20-19-22-14(13-3-2-8-21-10-13)9-15(23-19)18-16(24)4-1-5-17(18)25-11-12-6-7-12;/h1,4-5,9,12-13,21,24H,2-3,6-8,10-11H2,(H2,20,22,23);1H
InChIKeyUMEFNQJDMFESIS-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.11
Rot. Bonds5

About 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride

2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride (PubChem CID 142686934) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride
PubChem CID142686934
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride
SMILESCl.Nc1nc(-c2c(O)cccc2OCC2CC2)cc(C2CCCNC2)n1
InChIInChI=1S/C19H24N4O2.ClH/c20-19-22-14(13-3-2-8-21-10-13)9-15(23-19)18-16(24)4-1-5-17(18)25-11-12-6-7-12;/h1,4-5,9,12-13,21,24H,2-3,6-8,10-11H2,(H2,20,22,23);1H
InChIKeyUMEFNQJDMFESIS-UHFFFAOYSA-N
XLogP3.11
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol
CID 135481185
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride
CID 135618266
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol
CID 142686901
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol
CID 142686963
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol
CID 135461062
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride
CID 142686981
7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1H-1,8-naphthyridine-3-carbonitrile;hydrochloride
CID 162335678
7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide
CID 135453449
7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;ethane
CID 142804159
4-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride
CID 142686971
2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
CID 136916075
2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide
CID 91403098

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride?
The IUPAC name of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride (CID 142686934) is 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride.
What is the SMILES notation for 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride?
The canonical SMILES for 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride is Cl.Nc1nc(-c2c(O)cccc2OCC2CC2)cc(C2CCCNC2)n1.
What is the InChIKey of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride?
The InChIKey is UMEFNQJDMFESIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.ClH/c20-19-22-14(13-3-2-8-21-10-13)9-15(23-19)18-16(24)4-1-5-17(18)25-11-12-6-7-12;/h1,4-5,9,12-13,21,24H,2-3,6-8,10-11H2,(H2,20,22,23);1H.
What are the key properties of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride?
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride is sourced from PubChem (CID 142686934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).