4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine

C22H26N4O2 — CID 112922741

IUPAC4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1nc(C)cc(NCc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C22H26N4O2/c1-5-26(18-9-7-6-8-10-18)22-24-16(2)13-21(25-22)23-15-17-11-12-19(27-3)20(14-17)28-4/h6-14H,5,15H2,1-4H3,(H,23,24,25)
InChIKeyAWUJJZYRQUGHJT-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.57
Rot. Bonds8

About 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine

4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112922741) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112922741
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1nc(C)cc(NCc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C22H26N4O2/c1-5-26(18-9-7-6-8-10-18)22-24-16(2)13-21(25-22)23-15-17-11-12-19(27-3)20(14-17)28-4/h6-14H,5,15H2,1-4H3,(H,23,24,25)
InChIKeyAWUJJZYRQUGHJT-UHFFFAOYSA-N
XLogP4.57
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937591
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112922529
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916090
4-N-[(4-chlorophenyl)methyl]-2-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917979
2-N-butan-2-yl-4-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112909090
4-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112922720
4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112928845
2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112930483
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112922746
2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112927331
4-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919581
2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916376

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine (CID 112922741) is 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine is CCN(c1ccccc1)c1nc(C)cc(NCc2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is AWUJJZYRQUGHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-5-26(18-9-7-6-8-10-18)22-24-16(2)13-21(25-22)23-15-17-11-12-19(27-3)20(14-17)28-4/h6-14H,5,15H2,1-4H3,(H,23,24,25).
What are the key properties of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 378.48 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112922741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).