4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

C21H24N4O — CID 112902915

IUPAC4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1ccnc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C21H24N4O/c1-4-25(17-10-6-5-7-11-17)20-14-15-22-21(24-20)23-18-12-8-9-13-19(18)26-16(2)3/h5-16H,4H2,1-3H3,(H,22,23,24)
InChIKeyYKWYWCJYXIFFNP-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.17
Rot. Bonds7

About 4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112902915) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
PubChem CID112902915
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1ccnc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C21H24N4O/c1-4-25(17-10-6-5-7-11-17)20-14-15-22-21(24-20)23-18-12-8-9-13-19(18)26-16(2)3/h5-16H,4H2,1-3H3,(H,22,23,24)
InChIKeyYKWYWCJYXIFFNP-UHFFFAOYSA-N
XLogP5.17
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112964348
2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902939
methyl 2-[[4-(N-ethylanilino)pyrimidin-2-yl]amino]benzoate
CID 112902927
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112897622
4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112902949
N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883925
2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881861
2-N-(2-ethoxyphenyl)-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928782
4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928779
4-N-methyl-4-N-phenyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112902028
2-N-(2-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902024
4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112881959

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (CID 112902915) is 4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is CCN(c1ccccc1)c1ccnc(Nc2ccccc2OC(C)C)n1.
What is the InChIKey of 4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is YKWYWCJYXIFFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-4-25(17-10-6-5-7-11-17)20-14-15-22-21(24-20)23-18-12-8-9-13-19(18)26-16(2)3/h5-16H,4H2,1-3H3,(H,22,23,24).
What are the key properties of 4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 348.45 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112902915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).