N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine

C21H26N6 — CID 133293050

IUPACN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCC(CN1CCN(C)CC1)Nc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C21H26N6/c1-16(15-27-12-10-26(2)11-13-27)23-21-18-7-3-4-8-19(18)24-20(25-21)17-6-5-9-22-14-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,24,25)
InChIKeyAJKCBRSDVXTXPV-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.74
Rot. Bonds5

About N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine

N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 133293050) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID133293050
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC NameN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCC(CN1CCN(C)CC1)Nc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C21H26N6/c1-16(15-27-12-10-26(2)11-13-27)23-21-18-7-3-4-8-19(18)24-20(25-21)17-6-5-9-22-14-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,24,25)
InChIKeyAJKCBRSDVXTXPV-UHFFFAOYSA-N
XLogP2.74
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 9111435
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 30727958
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine
CID 24508299
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 8567794
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133365280
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
CID 9024551
1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol
CID 133323500
N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine
CID 133481242
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine
CID 56782052

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine (CID 133293050) is N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine is CC(CN1CCN(C)CC1)Nc1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is AJKCBRSDVXTXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-16(15-27-12-10-26(2)11-13-27)23-21-18-7-3-4-8-19(18)24-20(25-21)17-6-5-9-22-14-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,24,25).
What are the key properties of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine?
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 362.48 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 133293050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).