N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine

C19H22N6 — CID 140543082

IUPACN-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine
SMILESCc1cncc(-c2ccc3nc(NN4CCN(C)CC4)ncc3c2)c1
InChIInChI=1S/C19H22N6/c1-14-9-16(12-20-11-14)15-3-4-18-17(10-15)13-21-19(22-18)23-25-7-5-24(2)6-8-25/h3-4,9-13H,5-8H2,1-2H3,(H,21,22,23)
InChIKeyWQUXNIAEFXYSBG-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.57
Rot. Bonds3

About N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine

N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine (PubChem CID 140543082) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine
PubChem CID140543082
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine
SMILESCc1cncc(-c2ccc3nc(NN4CCN(C)CC4)ncc3c2)c1
InChIInChI=1S/C19H22N6/c1-14-9-16(12-20-11-14)15-3-4-18-17(10-15)13-21-19(22-18)23-25-7-5-24(2)6-8-25/h3-4,9-13H,5-8H2,1-2H3,(H,21,22,23)
InChIKeyWQUXNIAEFXYSBG-UHFFFAOYSA-N
XLogP2.57
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol
CID 140543179
6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 140543183
6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 140543218
N-(4-methylpiperazin-1-yl)-6-(3-nitrophenyl)quinazolin-2-amine
CID 140543145
N-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine
CID 140543194
N-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine
CID 140543146
N-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine
CID 140543118
N,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide
CID 140543104
N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine
CID 140543119
N-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine
CID 140543173
5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 83025864
N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine
CID 103204435

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine?
The IUPAC name of N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine (CID 140543082) is N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine is Cc1cncc(-c2ccc3nc(NN4CCN(C)CC4)ncc3c2)c1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine?
The InChIKey is WQUXNIAEFXYSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-14-9-16(12-20-11-14)15-3-4-18-17(10-15)13-21-19(22-18)23-25-7-5-24(2)6-8-25/h3-4,9-13H,5-8H2,1-2H3,(H,21,22,23).
What are the key properties of N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine?
N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine has a molecular weight of 334.43 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine is sourced from PubChem (CID 140543082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).