N-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine

C19H25N7 — CID 140543146

IUPACN-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine
SMILESCc1nn(C)c(C)c1-c1ccc2nc(NN3CCN(C)CC3)ncc2c1
InChIInChI=1S/C19H25N7/c1-13-18(14(2)25(4)22-13)15-5-6-17-16(11-15)12-20-19(21-17)23-26-9-7-24(3)8-10-26/h5-6,11-12H,7-10H2,1-4H3,(H,20,21,23)
InChIKeyOAUYEBOPNGNBTE-UHFFFAOYSA-N
MW351.46 g/mol
LogP2.22
Rot. Bonds3

About N-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine

N-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine (PubChem CID 140543146) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine
PubChem CID140543146
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC NameN-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine
SMILESCc1nn(C)c(C)c1-c1ccc2nc(NN3CCN(C)CC3)ncc2c1
InChIInChI=1S/C19H25N7/c1-13-18(14(2)25(4)22-13)15-5-6-17-16(11-15)12-20-19(21-17)23-26-9-7-24(3)8-10-26/h5-6,11-12H,7-10H2,1-4H3,(H,20,21,23)
InChIKeyOAUYEBOPNGNBTE-UHFFFAOYSA-N
XLogP2.22
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine
CID 140543082
6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 140543183
[4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol
CID 140543179
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-(5-phenylthiophen-2-yl)quinazolin-2-amine
CID 140543118
6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 140543218
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
2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 65307163
(1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154534

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine?
The IUPAC name of N-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine (CID 140543146) is N-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine is Cc1nn(C)c(C)c1-c1ccc2nc(NN3CCN(C)CC3)ncc2c1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine?
The InChIKey is OAUYEBOPNGNBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-13-18(14(2)25(4)22-13)15-5-6-17-16(11-15)12-20-19(21-17)23-26-9-7-24(3)8-10-26/h5-6,11-12H,7-10H2,1-4H3,(H,20,21,23).
What are the key properties of N-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine?
N-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine has a molecular weight of 351.46 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine is sourced from PubChem (CID 140543146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).