2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine

C20H30N4O3 — CID 112876701

IUPAC2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(Nc2cc(OC)c(OC)c(OC)c2)nc(C)n1
InChIInChI=1S/C20H30N4O3/c1-7-9-24(10-8-2)19-13-18(21-14(3)22-19)23-15-11-16(25-4)20(27-6)17(12-15)26-5/h11-13H,7-10H2,1-6H3,(H,21,22,23)
InChIKeyBNJRKKASSVJJRZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.18
Rot. Bonds10

About 2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine

2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112876701) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112876701
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(Nc2cc(OC)c(OC)c(OC)c2)nc(C)n1
InChIInChI=1S/C20H30N4O3/c1-7-9-24(10-8-2)19-13-18(21-14(3)22-19)23-15-11-16(25-4)20(27-6)17(12-15)26-5/h11-13H,7-10H2,1-6H3,(H,21,22,23)
InChIKeyBNJRKKASSVJJRZ-UHFFFAOYSA-N
XLogP4.18
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876654
6-N-(4-chlorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876660
6-N-(3-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876693
6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112874976
6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876661
6-N-(3-chloro-4-methoxyphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875685
4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875694
2-methyl-6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112870800
6-N-(2-fluorophenyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112877851
6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112871463
6-N-[(2-fluorophenyl)methyl]-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112872420
2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112928352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine (CID 112876701) is 2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine is CCCN(CCC)c1cc(Nc2cc(OC)c(OC)c(OC)c2)nc(C)n1.
What is the InChIKey of 2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is BNJRKKASSVJJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-7-9-24(10-8-2)19-13-18(21-14(3)22-19)23-15-11-16(25-4)20(27-6)17(12-15)26-5/h11-13H,7-10H2,1-6H3,(H,21,22,23).
What are the key properties of 2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine?
2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 374.49 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112876701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).