2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine

C19H22N4O — CID 91966057

IUPAC2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
SMILESCCOc1ccccc1Nc1nc(NC(C)C)c2ccccc2n1
InChIInChI=1S/C19H22N4O/c1-4-24-17-12-8-7-11-16(17)22-19-21-15-10-6-5-9-14(15)18(23-19)20-13(2)3/h5-13H,4H2,1-3H3,(H2,20,21,22,23)
InChIKeyAXYYTUZKKOAALE-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.59
Rot. Bonds6

About 2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine

2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine (PubChem CID 91966057) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
PubChem CID91966057
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
SMILESCCOc1ccccc1Nc1nc(NC(C)C)c2ccccc2n1
InChIInChI=1S/C19H22N4O/c1-4-24-17-12-8-7-11-16(17)22-19-21-15-10-6-5-9-14(15)18(23-19)20-13(2)3/h5-13H,4H2,1-3H3,(H2,20,21,22,23)
InChIKeyAXYYTUZKKOAALE-UHFFFAOYSA-N
XLogP4.59
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966042
4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
CID 80738238
2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966058
4-N-(2-ethoxyphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907340
2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol
CID 19988726
2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol
CID 56729182
2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729179
4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine
CID 90676298
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963224
4-ethoxy-N-phenylquinazolin-2-amine
CID 134868632
4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine
CID 80769065
6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80763478

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine?
The IUPAC name of 2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine (CID 91966057) is 2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine is CCOc1ccccc1Nc1nc(NC(C)C)c2ccccc2n1.
What is the InChIKey of 2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine?
The InChIKey is AXYYTUZKKOAALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-4-24-17-12-8-7-11-16(17)22-19-21-15-10-6-5-9-14(15)18(23-19)20-13(2)3/h5-13H,4H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine?
2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine has a molecular weight of 322.41 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine is sourced from PubChem (CID 91966057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).