4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C21H25N5O — CID 112895350

IUPAC4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2ccnc(N(C)CCc3ccncc3)n2)cc1
InChIInChI=1S/C21H25N5O/c1-26(16-11-18-7-12-22-13-8-18)21-24-15-10-20(25-21)23-14-9-17-3-5-19(27-2)6-4-17/h3-8,10,12-13,15H,9,11,14,16H2,1-2H3,(H,23,24,25)
InChIKeyMJTIBGRTNZYITQ-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.21
Rot. Bonds9

About 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112895350) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112895350
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2ccnc(N(C)CCc3ccncc3)n2)cc1
InChIInChI=1S/C21H25N5O/c1-26(16-11-18-7-12-22-13-8-18)21-24-15-10-20(25-21)23-14-9-17-3-5-19(27-2)6-4-17/h3-8,10,12-13,15H,9,11,14,16H2,1-2H3,(H,23,24,25)
InChIKeyMJTIBGRTNZYITQ-UHFFFAOYSA-N
XLogP3.21
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893825
4-N-benzyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889417
2-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112895391
2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile
CID 163348210
4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895775
2-N-methyl-2-N-(2-pyridin-4-ylethyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112895803
6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158980
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 117084765
4-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889124
4-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112882249
4-N-butyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112882836
N-[2-(4-methoxyphenyl)ethyl]-4-methylpyridin-2-amine
CID 59643127

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 112895350) is 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is COc1ccc(CCNc2ccnc(N(C)CCc3ccncc3)n2)cc1.
What is the InChIKey of 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is MJTIBGRTNZYITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-26(16-11-18-7-12-22-13-8-18)21-24-15-10-20(25-21)23-14-9-17-3-5-19(27-2)6-4-17/h3-8,10,12-13,15H,9,11,14,16H2,1-2H3,(H,23,24,25).
What are the key properties of 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 363.47 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112895350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).