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

C22H26N4O — CID 124748999

IUPAC2-N-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
SMILESCC[C@@H](C)Nc1nc(NCc2ccccc2OC)cc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-4-16(2)24-22-25-19(17-10-6-5-7-11-17)14-21(26-22)23-15-18-12-8-9-13-20(18)27-3/h5-14,16H,4,15H2,1-3H3,(H2,23,24,25,26)/t16-/m1/s1
InChIKeyKAADPHDYZHPBQQ-MRXNPFEDSA-N
MW362.48 g/mol
LogP4.97
Rot. Bonds8

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

2-N-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine (PubChem CID 124748999) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-N-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
PubChem CID124748999
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-N-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
SMILESCC[C@@H](C)Nc1nc(NCc2ccccc2OC)cc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-4-16(2)24-22-25-19(17-10-6-5-7-11-17)14-21(26-22)23-15-18-12-8-9-13-20(18)27-3/h5-14,16H,4,15H2,1-3H3,(H2,23,24,25,26)/t16-/m1/s1
InChIKeyKAADPHDYZHPBQQ-MRXNPFEDSA-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

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

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Related Compounds

2-N-butan-2-yl-4-N-[(3,4-dimethoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112934019
2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112934005
2-N,2-N-diethyl-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112937035
N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934233
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933832
4-N-[(4-methoxyphenyl)methyl]-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932810
4-N-butan-2-yl-2-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112908886
2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine
CID 112933992
2-N-butan-2-yl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112909057
4-N-butan-2-yl-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112868258
4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
CID 112909056
2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 124750208

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine (CID 124748999) is 2-N-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine is CC[C@@H](C)Nc1nc(NCc2ccccc2OC)cc(-c2ccccc2)n1.
What is the InChIKey of 2-N-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
The InChIKey is KAADPHDYZHPBQQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-16(2)24-22-25-19(17-10-6-5-7-11-17)14-21(26-22)23-15-18-12-8-9-13-20(18)27-3/h5-14,16H,4,15H2,1-3H3,(H2,23,24,25,26)/t16-/m1/s1.
What are the key properties of 2-N-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
2-N-[(2R)-butan-2-yl]-4-N-[(2-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-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 124748999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).