1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine

C19H26N4O — CID 71976593

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine
SMILESCc1cc(N2CCC(NCCOc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C19H26N4O/c1-15-14-19(22-16(2)21-15)23-11-8-17(9-12-23)20-10-13-24-18-6-4-3-5-7-18/h3-7,14,17,20H,8-13H2,1-2H3
InChIKeyKROXNUQNIDJUCP-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.73
Rot. Bonds6

About 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine

1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine (PubChem CID 71976593) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine
PubChem CID71976593
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine
SMILESCc1cc(N2CCC(NCCOc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C19H26N4O/c1-15-14-19(22-16(2)21-15)23-11-8-17(9-12-23)20-10-13-24-18-6-4-3-5-7-18/h3-7,14,17,20H,8-13H2,1-2H3
InChIKeyKROXNUQNIDJUCP-UHFFFAOYSA-N
XLogP2.73
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 942531
4-(1-Phenoxyethyl)pyrimidin-2-amine
CID 4364907
N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 853509
5-fluoro-N-(4-methoxyphenyl)-4-(4-morpholinyl)-2-pyrimidinamine
CID 2210271
N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 2950845
2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
CID 4322814
N-(4-Methoxy-phenyl)-6-morpholin-4-ylmethyl-[1,3,5]triazine-2,4-diamine
CID 651619
(4-Ethoxyphenyl){6-[(4-ethoxyphenyl)amino]-4-methylpyrimidin-2-yl}amine
CID 1068699
4-{4-[(2E)-2-(4-ethoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9610620
N-(2-morpholin-4-yl-ethyl)-N'-(4-trifluoromethoxy-phenyl)-pyrimidine-4,6-diamine
CID 5312285
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 11502665

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine (CID 71976593) is 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine is Cc1cc(N2CCC(NCCOc3ccccc3)CC2)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine?
The InChIKey is KROXNUQNIDJUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-14-19(22-16(2)21-15)23-11-8-17(9-12-23)20-10-13-24-18-6-4-3-5-7-18/h3-7,14,17,20H,8-13H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine?
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine has a molecular weight of 326.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine is sourced from PubChem (CID 71976593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).