4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine

C21H26N4O — CID 91963748

IUPAC4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine
SMILESCc1ccc(CCNc2nc(NC3CCCCC3)c3ccccc3n2)o1
InChIInChI=1S/C21H26N4O/c1-15-11-12-17(26-15)13-14-22-21-24-19-10-6-5-9-18(19)20(25-21)23-16-7-3-2-4-8-16/h5-6,9-12,16H,2-4,7-8,13-14H2,1H3,(H2,22,23,24,25)
InChIKeyQTLQWAJWIKHMBH-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.93
Rot. Bonds6

About 4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine

4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine (PubChem CID 91963748) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine
PubChem CID91963748
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine
SMILESCc1ccc(CCNc2nc(NC3CCCCC3)c3ccccc3n2)o1
InChIInChI=1S/C21H26N4O/c1-15-11-12-17(26-15)13-14-22-21-24-19-10-6-5-9-18(19)20(25-21)23-16-7-3-2-4-8-16/h5-6,9-12,16H,2-4,7-8,13-14H2,1H3,(H2,22,23,24,25)
InChIKeyQTLQWAJWIKHMBH-UHFFFAOYSA-N
XLogP4.93
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine (CID 91963748) is 4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine is Cc1ccc(CCNc2nc(NC3CCCCC3)c3ccccc3n2)o1.
What is the InChIKey of 4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine?
The InChIKey is QTLQWAJWIKHMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-11-12-17(26-15)13-14-22-21-24-19-10-6-5-9-18(19)20(25-21)23-16-7-3-2-4-8-16/h5-6,9-12,16H,2-4,7-8,13-14H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine?
4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine has a molecular weight of 350.47 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 91963748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).