2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine

C19H28N4O — CID 112926310

IUPAC2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1cc(C)nc(Nc2ccc(OCC)cc2)n1
InChIInChI=1S/C19H28N4O/c1-5-12-23(13-6-2)18-14-15(4)20-19(22-18)21-16-8-10-17(11-9-16)24-7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,21,22)
InChIKeyIMYTWXDXQAKKMJ-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.55
Rot. Bonds9

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

2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine (PubChem CID 112926310) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
PubChem CID112926310
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1cc(C)nc(Nc2ccc(OCC)cc2)n1
InChIInChI=1S/C19H28N4O/c1-5-12-23(13-6-2)18-14-15(4)20-19(22-18)21-16-8-10-17(11-9-16)24-7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,21,22)
InChIKeyIMYTWXDXQAKKMJ-UHFFFAOYSA-N
XLogP4.55
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112926360
2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906938
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-ethoxybenzamide
CID 46362597
4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112924138
4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride
CID 20997997
4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908206
4-N-(2,4-dimethylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112927977
2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901166
2-N-(4-ethoxyphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908592
4-N-benzyl-4-N-ethyl-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918940
6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847511
2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335167

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine (CID 112926310) is 2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1cc(C)nc(Nc2ccc(OCC)cc2)n1.
What is the InChIKey of 2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is IMYTWXDXQAKKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-5-12-23(13-6-2)18-14-15(4)20-19(22-18)21-16-8-10-17(11-9-16)24-7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,21,22).
What are the key properties of 2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine?
2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 328.46 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112926310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).