N-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine

C19H26N4O2 — CID 112910799

IUPACN-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCOc1ccc(OC)c(Nc2nc(C)cc(N3CCC(C)CC3)n2)c1
InChIInChI=1S/C19H26N4O2/c1-13-7-9-23(10-8-13)18-11-14(2)20-19(22-18)21-16-12-15(24-3)5-6-17(16)25-4/h5-6,11-13H,7-10H2,1-4H3,(H,20,21,22)
InChIKeyNBHRLKABZLWILR-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.78
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine

N-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112910799) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112910799
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCOc1ccc(OC)c(Nc2nc(C)cc(N3CCC(C)CC3)n2)c1
InChIInChI=1S/C19H26N4O2/c1-13-7-9-23(10-8-13)18-11-14(2)20-19(22-18)21-16-12-15(24-3)5-6-17(16)25-4/h5-6,11-13H,7-10H2,1-4H3,(H,20,21,22)
InChIKeyNBHRLKABZLWILR-UHFFFAOYSA-N
XLogP3.78
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910788
N-(2,4-dimethoxyphenyl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 112912177
N-(2-methoxyphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926091
N-(2-methoxy-5-methylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869263
1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914917
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942873
N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909403
4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 88570930
N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856463
methyl 4-[[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112910811
4-[2-(5-chloro-2-methoxyanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914573
N-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 1367189

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112910799) is N-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine is COc1ccc(OC)c(Nc2nc(C)cc(N3CCC(C)CC3)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is NBHRLKABZLWILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-7-9-23(10-8-13)18-11-14(2)20-19(22-18)21-16-12-15(24-3)5-6-17(16)25-4/h5-6,11-13H,7-10H2,1-4H3,(H,20,21,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
N-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 342.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112910799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).