4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine

C14H20N4 — CID 64588086

IUPAC4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine
SMILESCCCC(C)N(C)c1ncnc2ccc(N)cc12
InChIInChI=1S/C14H20N4/c1-4-5-10(2)18(3)14-12-8-11(15)6-7-13(12)16-9-17-14/h6-10H,4-5,15H2,1-3H3
InChIKeyJXNMRXYOYQBUDF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.84
Rot. Bonds4

About 4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine

4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine (PubChem CID 64588086) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine
PubChem CID64588086
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine
SMILESCCCC(C)N(C)c1ncnc2ccc(N)cc12
InChIInChI=1S/C14H20N4/c1-4-5-10(2)18(3)14-12-8-11(15)6-7-13(12)16-9-17-14/h6-10H,4-5,15H2,1-3H3
InChIKeyJXNMRXYOYQBUDF-UHFFFAOYSA-N
XLogP2.84
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine
CID 64587916
4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine
CID 90947771
2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 64589896
4-N-methyl-4-N-(4-methylphenyl)quinazoline-4,6-diamine
CID 64587921
2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 64588093
4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine
CID 64587901
4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine
CID 64587906
4-propoxyquinazolin-6-amine
CID 64587338
4-propylsulfonylquinazolin-6-amine
CID 64586675
4-butan-2-ylsulfanylquinazolin-6-amine
CID 64589334
2-N-methyl-2-N-pentan-2-ylpyridine-2,5-diamine
CID 43571817
4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine
CID 64589688

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine (CID 64588086) is 4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine is CCCC(C)N(C)c1ncnc2ccc(N)cc12.
What is the InChIKey of 4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine?
The InChIKey is JXNMRXYOYQBUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-5-10(2)18(3)14-12-8-11(15)6-7-13(12)16-9-17-14/h6-10H,4-5,15H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine?
4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine is sourced from PubChem (CID 64588086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).