N,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine

C14H14N4 — CID 59212834

IUPACN,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine
SMILESCN(C)c1nc(-c2ccc[nH]2)nc2ccccc12
InChIInChI=1S/C14H14N4/c1-18(2)14-10-6-3-4-7-11(10)16-13(17-14)12-8-5-9-15-12/h3-9,15H,1-2H3
InChIKeyRPTUDZKSTMYLKK-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.69
Rot. Bonds2

About N,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine

N,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine (PubChem CID 59212834) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine
PubChem CID59212834
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine
SMILESCN(C)c1nc(-c2ccc[nH]2)nc2ccccc12
InChIInChI=1S/C14H14N4/c1-18(2)14-10-6-3-4-7-11(10)16-13(17-14)12-8-5-9-15-12/h3-9,15H,1-2H3
InChIKeyRPTUDZKSTMYLKK-UHFFFAOYSA-N
XLogP2.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine?
The IUPAC name of N,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine (CID 59212834) is N,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine?
The canonical SMILES for N,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine is CN(C)c1nc(-c2ccc[nH]2)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine?
The InChIKey is RPTUDZKSTMYLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-18(2)14-10-6-3-4-7-11(10)16-13(17-14)12-8-5-9-15-12/h3-9,15H,1-2H3.
What are the key properties of N,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine?
N,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine has a molecular weight of 238.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine is sourced from PubChem (CID 59212834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).