N-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine

C24H25N7O2 — CID 175169105

IUPACN-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine
SMILESCOc1ccccc1Oc1ccnc(Nc2ccc3c(N4CCN(C)CC4)ncnc3c2)n1
InChIInChI=1S/C24H25N7O2/c1-30-11-13-31(14-12-30)23-18-8-7-17(15-19(18)26-16-27-23)28-24-25-10-9-22(29-24)33-21-6-4-3-5-20(21)32-2/h3-10,15-16H,11-14H2,1-2H3,(H,25,28,29)
InChIKeyLFOBAWBWVXSFLD-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.72
Rot. Bonds6

About N-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine

N-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine (PubChem CID 175169105) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine
PubChem CID175169105
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC NameN-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine
SMILESCOc1ccccc1Oc1ccnc(Nc2ccc3c(N4CCN(C)CC4)ncnc3c2)n1
InChIInChI=1S/C24H25N7O2/c1-30-11-13-31(14-12-30)23-18-8-7-17(15-19(18)26-16-27-23)28-24-25-10-9-22(29-24)33-21-6-4-3-5-20(21)32-2/h3-10,15-16H,11-14H2,1-2H3,(H,25,28,29)
InChIKeyLFOBAWBWVXSFLD-UHFFFAOYSA-N
XLogP3.72
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-ethoxy-4-fluorophenyl)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine
CID 175172224
N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine
CID 172643636
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenoxypyrimidin-2-amine
CID 172514967
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
4-[2-(2-methoxyphenoxy)benzimidazol-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 11432161
4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine
CID 80869209
N-(3-chloro-4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888005
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 10973305
1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 139408176
N-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine
CID 126500849
N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 769569
[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl] N-[2-(difluoromethoxy)phenyl]-N-(2,6-dimethylphenyl)carbamate
CID 90889160

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine?
The IUPAC name of N-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine (CID 175169105) is N-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine?
The canonical SMILES for N-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine is COc1ccccc1Oc1ccnc(Nc2ccc3c(N4CCN(C)CC4)ncnc3c2)n1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine?
The InChIKey is LFOBAWBWVXSFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-30-11-13-31(14-12-30)23-18-8-7-17(15-19(18)26-16-27-23)28-24-25-10-9-22(29-24)33-21-6-4-3-5-20(21)32-2/h3-10,15-16H,11-14H2,1-2H3,(H,25,28,29).
What are the key properties of N-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine?
N-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine has a molecular weight of 443.51 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine is sourced from PubChem (CID 175169105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).