2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine

C22H26N4O — CID 112934005

IUPAC2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(NCc2ccc(OC)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-4-16(2)24-22-25-20(18-8-6-5-7-9-18)14-21(26-22)23-15-17-10-12-19(27-3)13-11-17/h5-14,16H,4,15H2,1-3H3,(H2,23,24,25,26)
InChIKeyZPNDGRSAYJDJNU-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.97
Rot. Bonds8

About 2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine

2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine (PubChem CID 112934005) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
PubChem CID112934005
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(NCc2ccc(OC)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-4-16(2)24-22-25-20(18-8-6-5-7-9-18)14-21(26-22)23-15-17-10-12-19(27-3)13-11-17/h5-14,16H,4,15H2,1-3H3,(H2,23,24,25,26)
InChIKeyZPNDGRSAYJDJNU-UHFFFAOYSA-N
XLogP4.97
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932810
2-N-butan-2-yl-4-N-[(3,4-dimethoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112934019
2-N-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 124748999
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylbutyl)-6-phenylpyrimidine-2,4-diamine
CID 112937070
4-N-butyl-2-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112933559
4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
CID 112909056
2-N-[(4-methoxyphenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933268
2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 124750208
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine
CID 112933992
N-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine
CID 166085594
2-N-butan-2-yl-4-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112909090

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine (CID 112934005) is 2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine is CCC(C)Nc1nc(NCc2ccc(OC)cc2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
The InChIKey is ZPNDGRSAYJDJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-16(2)24-22-25-20(18-8-6-5-7-9-18)14-21(26-22)23-15-17-10-12-19(27-3)13-11-17/h5-14,16H,4,15H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine has a molecular weight of 362.48 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112934005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).