4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine

C19H28N4O2 — CID 112922529

IUPAC4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(C)cc(NCCc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C19H28N4O2/c1-6-23(7-2)19-21-14(3)12-18(22-19)20-11-10-15-8-9-16(24-4)17(13-15)25-5/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,20,21,22)
InChIKeyZWCSNXHQCCLRBQ-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.30
Rot. Bonds9

About 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine

4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 112922529) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
PubChem CID112922529
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(C)cc(NCCc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C19H28N4O2/c1-6-23(7-2)19-21-14(3)12-18(22-19)20-11-10-15-8-9-16(24-4)17(13-15)25-5/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,20,21,22)
InChIKeyZWCSNXHQCCLRBQ-UHFFFAOYSA-N
XLogP3.30
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112922602
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112921302
2-(azepan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 112922536
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910903
4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922501
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922544
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112922741
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937591
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
4-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112921128
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112922553
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922586

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine (CID 112922529) is 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine is CCN(CC)c1nc(C)cc(NCCc2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is ZWCSNXHQCCLRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-6-23(7-2)19-21-14(3)12-18(22-19)20-11-10-15-8-9-16(24-4)17(13-15)25-5/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,20,21,22).
What are the key properties of 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine?
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 344.46 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112922529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).