4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine

C17H24N4O — CID 112908783

IUPAC4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2cc(C)nc(NCC(C)C)n2)cc1
InChIInChI=1S/C17H24N4O/c1-5-22-15-8-6-14(7-9-15)20-16-10-13(4)19-17(21-16)18-11-12(2)3/h6-10,12H,5,11H2,1-4H3,(H2,18,19,20,21)
InChIKeyYKAJBSFOECFCNM-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.00
Rot. Bonds7

About 4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine

4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 112908783) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID112908783
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2cc(C)nc(NCC(C)C)n2)cc1
InChIInChI=1S/C17H24N4O/c1-5-22-15-8-6-14(7-9-15)20-16-10-13(4)19-17(21-16)18-11-12(2)3/h6-10,12H,5,11H2,1-4H3,(H2,18,19,20,21)
InChIKeyYKAJBSFOECFCNM-UHFFFAOYSA-N
XLogP4.00
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-ethoxyphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908592
4-N-(2-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908782
1-[4-[[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112908794
2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906938
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922819
1-[4-(4-ethoxyanilino)-6-methylpyrimidin-2-yl]-3-[(2R)-pentan-2-yl]thiourea
CID 100565336
2-N-(2,5-dimethylphenyl)-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928127
1-[4-(4-ethoxyanilino)-6-methylpyrimidin-2-yl]-3-methylthiourea
CID 100564852
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907048
4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908206
4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine
CID 112879831
2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930871

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 112908783) is 4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine is CCOc1ccc(Nc2cc(C)nc(NCC(C)C)n2)cc1.
What is the InChIKey of 4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is YKAJBSFOECFCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-5-22-15-8-6-14(7-9-15)20-16-10-13(4)19-17(21-16)18-11-12(2)3/h6-10,12H,5,11H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 300.41 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112908783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).