4-N-(4-methylpentyl)quinazoline-2,4-diamine

C14H20N4 — CID 80831388

IUPAC4-N-(4-methylpentyl)quinazoline-2,4-diamine
SMILESCC(C)CCCNc1nc(N)nc2ccccc12
InChIInChI=1S/C14H20N4/c1-10(2)6-5-9-16-13-11-7-3-4-8-12(11)17-14(15)18-13/h3-4,7-8,10H,5-6,9H2,1-2H3,(H3,15,16,17,18)
InChIKeyQDAAYIBHNKVJPR-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.06
Rot. Bonds5

About 4-N-(4-methylpentyl)quinazoline-2,4-diamine

4-N-(4-methylpentyl)quinazoline-2,4-diamine (PubChem CID 80831388) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-N-(4-methylpentyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methylpentyl)quinazoline-2,4-diamine
PubChem CID80831388
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-N-(4-methylpentyl)quinazoline-2,4-diamine
SMILESCC(C)CCCNc1nc(N)nc2ccccc12
InChIInChI=1S/C14H20N4/c1-10(2)6-5-9-16-13-11-7-3-4-8-12(11)17-14(15)18-13/h3-4,7-8,10H,5-6,9H2,1-2H3,(H3,15,16,17,18)
InChIKeyQDAAYIBHNKVJPR-UHFFFAOYSA-N
XLogP3.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770158
4-N-(3-methylsulfonylpropyl)quinazoline-2,4-diamine
CID 80812152
2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831170
4-N-(3-ethoxypropyl)quinazoline-2,4-diamine
CID 80773022
4-[(2-aminoquinazolin-4-yl)amino]butanamide
CID 80790515
4-N-(2-phenoxyethyl)quinazoline-2,4-diamine
CID 80791774
3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol
CID 83179969
3-[2-[(2-aminoquinazolin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311755
3-methyl-N-(7-methyloctyl)quinoxalin-2-amine
CID 107816078
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol
CID 114148530
4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 107818983

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylpentyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(4-methylpentyl)quinazoline-2,4-diamine (CID 80831388) is 4-N-(4-methylpentyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(4-methylpentyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(4-methylpentyl)quinazoline-2,4-diamine is CC(C)CCCNc1nc(N)nc2ccccc12.
What is the InChIKey of 4-N-(4-methylpentyl)quinazoline-2,4-diamine?
The InChIKey is QDAAYIBHNKVJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10(2)6-5-9-16-13-11-7-3-4-8-12(11)17-14(15)18-13/h3-4,7-8,10H,5-6,9H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-(4-methylpentyl)quinazoline-2,4-diamine?
4-N-(4-methylpentyl)quinazoline-2,4-diamine has a molecular weight of 244.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylpentyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80831388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).