4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine

C22H26N4O — CID 112879831

IUPAC4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine
SMILESCCOc1ccc(Nc2cc(NCC(C)C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H26N4O/c1-4-27-19-12-10-18(11-13-19)24-21-14-20(23-15-16(2)3)25-22(26-21)17-8-6-5-7-9-17/h5-14,16H,4,15H2,1-3H3,(H2,23,24,25,26)
InChIKeyYOKQWFWMRUVWLV-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.35
Rot. Bonds8

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

4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 112879831) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID112879831
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine
SMILESCCOc1ccc(Nc2cc(NCC(C)C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H26N4O/c1-4-27-19-12-10-18(11-13-19)24-21-14-20(23-15-16(2)3)25-22(26-21)17-8-6-5-7-9-17/h5-14,16H,4,15H2,1-3H3,(H2,23,24,25,26)
InChIKeyYOKQWFWMRUVWLV-UHFFFAOYSA-N
XLogP5.35
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908783
2-N-(4-ethoxyphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908592
2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 124750208
4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine
CID 112879814
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine
CID 2459759
4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937737
6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851582
4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879528
6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112852541
6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877881
4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 115915739

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine (CID 112879831) is 4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine is CCOc1ccc(Nc2cc(NCC(C)C)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is YOKQWFWMRUVWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-27-19-12-10-18(11-13-19)24-21-14-20(23-15-16(2)3)25-22(26-21)17-8-6-5-7-9-17/h5-14,16H,4,15H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine?
4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 362.48 g/mol, XLogP of 5.35, 8 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-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).