6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine

C16H23N7O — CID 175917946

IUPAC6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine
SMILESCOc1cc(N2CCN(C)CC2)ccc1-c1nc(N)nc(N)c1N
InChIInChI=1S/C16H23N7O/c1-22-5-7-23(8-6-22)10-3-4-11(12(9-10)24-2)14-13(17)15(18)21-16(19)20-14/h3-4,9H,5-8,17H2,1-2H3,(H4,18,19,20,21)
InChIKeyKWKWICRLBJOPBZ-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.65
Rot. Bonds3

About 6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine

6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine (PubChem CID 175917946) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine
PubChem CID175917946
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine
SMILESCOc1cc(N2CCN(C)CC2)ccc1-c1nc(N)nc(N)c1N
InChIInChI=1S/C16H23N7O/c1-22-5-7-23(8-6-22)10-3-4-11(12(9-10)24-2)14-13(17)15(18)21-16(19)20-14/h3-4,9H,5-8,17H2,1-2H3,(H4,18,19,20,21)
InChIKeyKWKWICRLBJOPBZ-UHFFFAOYSA-N
XLogP0.65
TPSA119.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]boronic acid
CID 124926588
3-[7-amino-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol
CID 11568173
6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(3-phenyl-3,4-dihydropyrazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 155319692
4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 74249552
methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate
CID 66996253
2-methoxy-4-(4-methylpiperazin-1-yl)benzoyl chloride
CID 142792187
6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 166611741
1-(4-amino-3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)piperidin-4-ol
CID 145320418
2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;molecular hydrogen
CID 144787336
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 135335286

Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine?
The IUPAC name of 6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine (CID 175917946) is 6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine.
What is the SMILES notation for 6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine?
The canonical SMILES for 6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine is COc1cc(N2CCN(C)CC2)ccc1-c1nc(N)nc(N)c1N.
What is the InChIKey of 6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine?
The InChIKey is KWKWICRLBJOPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-22-5-7-23(8-6-22)10-3-4-11(12(9-10)24-2)14-13(17)15(18)21-16(19)20-14/h3-4,9H,5-8,17H2,1-2H3,(H4,18,19,20,21).
What are the key properties of 6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine?
6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine has a molecular weight of 329.41 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine is sourced from PubChem (CID 175917946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).