N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine

C16H19N7 — CID 11990505

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine
SMILESCc1cc(Nc2nc(N3CCNCC3)nc3ccccc23)n[nH]1
InChIInChI=1S/C16H19N7/c1-11-10-14(22-21-11)19-15-12-4-2-3-5-13(12)18-16(20-15)23-8-6-17-7-9-23/h2-5,10,17H,6-9H2,1H3,(H2,18,19,20,21,22)
InChIKeyULWYVYVYOKDIMS-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.81
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine

N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine (PubChem CID 11990505) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine
PubChem CID11990505
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine
SMILESCc1cc(Nc2nc(N3CCNCC3)nc3ccccc23)n[nH]1
InChIInChI=1S/C16H19N7/c1-11-10-14(22-21-11)19-15-12-4-2-3-5-13(12)18-16(20-15)23-8-6-17-7-9-23/h2-5,10,17H,6-9H2,1H3,(H2,18,19,20,21,22)
InChIKeyULWYVYVYOKDIMS-UHFFFAOYSA-N
XLogP1.81
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine (CID 11990505) is N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine is Cc1cc(Nc2nc(N3CCNCC3)nc3ccccc23)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine?
The InChIKey is ULWYVYVYOKDIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-11-10-14(22-21-11)19-15-12-4-2-3-5-13(12)18-16(20-15)23-8-6-17-7-9-23/h2-5,10,17H,6-9H2,1H3,(H2,18,19,20,21,22).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine has a molecular weight of 309.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine is sourced from PubChem (CID 11990505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).