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

C20H30N4O2 — CID 112874976

IUPAC6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(NCc2ccc(OC)c(OC)c2)nc(C)n1
InChIInChI=1S/C20H30N4O2/c1-6-10-24(11-7-2)20-13-19(22-15(3)23-20)21-14-16-8-9-17(25-4)18(12-16)26-5/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,21,22,23)
InChIKeyJFJNLIPGKXCEIN-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.04
Rot. Bonds10

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

6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine (PubChem CID 112874976) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
PubChem CID112874976
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(NCc2ccc(OC)c(OC)c2)nc(C)n1
InChIInChI=1S/C20H30N4O2/c1-6-10-24(11-7-2)20-13-19(22-15(3)23-20)21-14-16-8-9-17(25-4)18(12-16)26-5/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,21,22,23)
InChIKeyJFJNLIPGKXCEIN-UHFFFAOYSA-N
XLogP4.04
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112871547
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112956312
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112874986
6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109372823
2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112876701
6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112874979
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112874991
2-methyl-4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873254
6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112872614
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112870727
6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876654
4-N-(5-chloro-2-methylphenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112875004

Frequently Asked Questions

What is the IUPAC name of 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine (CID 112874976) is 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine is CCCN(CCC)c1cc(NCc2ccc(OC)c(OC)c2)nc(C)n1.
What is the InChIKey of 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The InChIKey is JFJNLIPGKXCEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-6-10-24(11-7-2)20-13-19(22-15(3)23-20)21-14-16-8-9-17(25-4)18(12-16)26-5/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,21,22,23).
What are the key properties of 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine has a molecular weight of 358.49 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 112874976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).