2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine

C18H20N8 — CID 133280943

IUPAC2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine
SMILESc1ccc2c(NCCn3cccn3)nc(NCCn3cccn3)nc2c1
InChIInChI=1S/C18H20N8/c1-2-6-16-15(5-1)17(19-9-13-25-11-3-7-21-25)24-18(23-16)20-10-14-26-12-4-8-22-26/h1-8,11-12H,9-10,13-14H2,(H2,19,20,23,24)
InChIKeyZEQCBPTZDPJRHP-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.25
Rot. Bonds8

About 2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine

2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine (PubChem CID 133280943) has the molecular formula C18H20N8 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine
PubChem CID133280943
Molecular FormulaC18H20N8
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine
SMILESc1ccc2c(NCCn3cccn3)nc(NCCn3cccn3)nc2c1
InChIInChI=1S/C18H20N8/c1-2-6-16-15(5-1)17(19-9-13-25-11-3-7-21-25)24-18(23-16)20-10-14-26-12-4-8-22-26/h1-8,11-12H,9-10,13-14H2,(H2,19,20,23,24)
InChIKeyZEQCBPTZDPJRHP-UHFFFAOYSA-N
XLogP2.25
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine
CID 66904247
2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine
CID 61463009
2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325853
2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
CID 23196584
4-N-(2-ethoxyethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80793590
2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831170
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine
CID 103963005
2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 115978219
methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
CID 80798366
2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine
CID 80778175
2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine
CID 80798310

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine (CID 133280943) is 2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine is c1ccc2c(NCCn3cccn3)nc(NCCn3cccn3)nc2c1.
What is the InChIKey of 2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine?
The InChIKey is ZEQCBPTZDPJRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8/c1-2-6-16-15(5-1)17(19-9-13-25-11-3-7-21-25)24-18(23-16)20-10-14-26-12-4-8-22-26/h1-8,11-12H,9-10,13-14H2,(H2,19,20,23,24).
What are the key properties of 2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine?
2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine has a molecular weight of 348.41 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 133280943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).