N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C19H27N5O2 — CID 112870727

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(N3CCN(C)CC3)nc(C)n2)cc1OC
InChIInChI=1S/C19H27N5O2/c1-14-21-18(12-19(22-14)24-9-7-23(2)8-10-24)20-13-15-5-6-16(25-3)17(11-15)26-4/h5-6,11-12H,7-10,13H2,1-4H3,(H,20,21,22)
InChIKeyYQCURSPLKZTPJP-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.17
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112870727) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112870727
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(N3CCN(C)CC3)nc(C)n2)cc1OC
InChIInChI=1S/C19H27N5O2/c1-14-21-18(12-19(22-14)24-9-7-23(2)8-10-24)20-13-15-5-6-16(25-3)17(11-15)26-4/h5-6,11-12H,7-10,13H2,1-4H3,(H,20,21,22)
InChIKeyYQCURSPLKZTPJP-UHFFFAOYSA-N
XLogP2.17
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112870708
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112872910
4-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112922785
2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 108775748
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880936
2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705
2-methyl-6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112870800
4-N-[(3,4-dichlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 46228125
6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112874976
6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112874979
2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine
CID 108775792
N-[(4-chlorophenyl)methyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868436

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 112870727) is N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is COc1ccc(CNc2cc(N3CCN(C)CC3)nc(C)n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is YQCURSPLKZTPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14-21-18(12-19(22-14)24-9-7-23(2)8-10-24)20-13-15-5-6-16(25-3)17(11-15)26-4/h5-6,11-12H,7-10,13H2,1-4H3,(H,20,21,22).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 357.46 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112870727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).