2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine

C20H20N6 — CID 154453023

IUPAC2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine
SMILESCCN(c1ccccc1)c1nc(Nc2cc(C)[nH]n2)c2ccccc2n1
InChIInChI=1S/C20H20N6/c1-3-26(15-9-5-4-6-10-15)20-21-17-12-8-7-11-16(17)19(23-20)22-18-13-14(2)24-25-18/h4-13H,3H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyVGOCDDAWDSIPSM-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.56
Rot. Bonds5

About 2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine

2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine (PubChem CID 154453023) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine
PubChem CID154453023
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine
SMILESCCN(c1ccccc1)c1nc(Nc2cc(C)[nH]n2)c2ccccc2n1
InChIInChI=1S/C20H20N6/c1-3-26(15-9-5-4-6-10-15)20-21-17-12-8-7-11-16(17)19(23-20)22-18-13-14(2)24-25-18/h4-13H,3H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyVGOCDDAWDSIPSM-UHFFFAOYSA-N
XLogP4.56
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid
CID 68787141
2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170946131
2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170000713
N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine
CID 10134576
2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 70903295
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine
CID 10178621
N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine
CID 11990505
4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzaldehyde
CID 88927768
2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10270356
2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 20604329
2-(3-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]ethanol
CID 91267082
2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10201719

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine (CID 154453023) is 2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine is CCN(c1ccccc1)c1nc(Nc2cc(C)[nH]n2)c2ccccc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine?
The InChIKey is VGOCDDAWDSIPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-3-26(15-9-5-4-6-10-15)20-21-17-12-8-7-11-16(17)19(23-20)22-18-13-14(2)24-25-18/h4-13H,3H2,1-2H3,(H2,21,22,23,24,25).
What are the key properties of 2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine?
2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine has a molecular weight of 344.42 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 154453023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).