4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine

C20H30N4O — CID 112921302

IUPAC4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1nc(C)cc(NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C20H30N4O/c1-5-13-24(14-6-2)20-22-16(3)15-19(23-20)21-12-11-17-7-9-18(25-4)10-8-17/h7-10,15H,5-6,11-14H2,1-4H3,(H,21,22,23)
InChIKeyZMALJYXBUNDIDF-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.07
Rot. Bonds10

About 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine

4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine (PubChem CID 112921302) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
PubChem CID112921302
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1nc(C)cc(NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C20H30N4O/c1-5-13-24(14-6-2)20-22-16(3)15-19(23-20)21-12-11-17-7-9-18(25-4)10-8-17/h7-10,15H,5-6,11-14H2,1-4H3,(H,21,22,23)
InChIKeyZMALJYXBUNDIDF-UHFFFAOYSA-N
XLogP4.07
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112922529
2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 62476087
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112922602
4-N,4-N-diethyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874276
4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922501
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921111
6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 65416274
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921378
2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112921379
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009
4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80940431

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine (CID 112921302) is 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1nc(C)cc(NCCc2ccc(OC)cc2)n1.
What is the InChIKey of 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is ZMALJYXBUNDIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-5-13-24(14-6-2)20-22-16(3)15-19(23-20)21-12-11-17-7-9-18(25-4)10-8-17/h7-10,15H,5-6,11-14H2,1-4H3,(H,21,22,23).
What are the key properties of 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine?
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 342.49 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112921302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).