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

C22H26N4O — CID 112937035

IUPAC2-N,2-N-diethyl-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(NCc2ccccc2OC)cc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-4-26(5-2)22-24-19(17-11-7-6-8-12-17)15-21(25-22)23-16-18-13-9-10-14-20(18)27-3/h6-15H,4-5,16H2,1-3H3,(H,23,24,25)
InChIKeyJADDDLWLOGAVQI-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.61
Rot. Bonds8

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

2-N,2-N-diethyl-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine (PubChem CID 112937035) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
PubChem CID112937035
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-N,2-N-diethyl-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(NCc2ccccc2OC)cc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-4-26(5-2)22-24-19(17-11-7-6-8-12-17)15-21(25-22)23-16-18-13-9-10-14-20(18)27-3/h6-15H,4-5,16H2,1-3H3,(H,23,24,25)
InChIKeyJADDDLWLOGAVQI-UHFFFAOYSA-N
XLogP4.61
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937591
2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937733
2-N,2-N,4-N-triethyl-6-phenylpyrimidine-2,4-diamine
CID 63485028
2-N-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 124748999
N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934233
2-N,2-N-diethyl-4-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 62192827
N,N-diethyl-4-hydrazinyl-6-phenylpyrimidin-2-amine
CID 62251410
4-N-[(2-methoxyphenyl)methyl]-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880393
2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937720
4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937737
4-N-benzyl-4-N-ethyl-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860053
4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine
CID 55045579

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine (CID 112937035) is 2-N,2-N-diethyl-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine is CCN(CC)c1nc(NCc2ccccc2OC)cc(-c2ccccc2)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
The InChIKey is JADDDLWLOGAVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-26(5-2)22-24-19(17-11-7-6-8-12-17)15-21(25-22)23-16-18-13-9-10-14-20(18)27-3/h6-15H,4-5,16H2,1-3H3,(H,23,24,25).
What are the key properties of 2-N,2-N-diethyl-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
2-N,2-N-diethyl-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine has a molecular weight of 362.48 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112937035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).