4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-diamine

C14H20N4 — CID 80793845

IUPAC4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-diamine
SMILESCCC(CC)N(C)c1nc(N)nc2ccccc12
InChIInChI=1S/C14H20N4/c1-4-10(5-2)18(3)13-11-8-6-7-9-12(11)16-14(15)17-13/h6-10H,4-5H2,1-3H3,(H2,15,16,17)
InChIKeyLXNULURUCILWAS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.84
Rot. Bonds4

About 4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-diamine

4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-diamine (PubChem CID 80793845) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-diamine
PubChem CID80793845
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-diamine
SMILESCCC(CC)N(C)c1nc(N)nc2ccccc12
InChIInChI=1S/C14H20N4/c1-4-10(5-2)18(3)13-11-8-6-7-9-12(11)16-14(15)17-13/h6-10H,4-5H2,1-3H3,(H2,15,16,17)
InChIKeyLXNULURUCILWAS-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

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Related Compounds

4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 80763753
2-N,4-N-dimethyl-4-N-pentan-3-ylquinazoline-2,4-diamine
CID 80792804
4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine
CID 80775432
4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine
CID 80796340
2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol
CID 80773437
4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80788749
N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine
CID 80894230
5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80793731
4-ethylquinazolin-2-amine
CID 10352174
2-[(2-aminoquinazolin-4-yl)-propan-2-ylamino]acetamide
CID 80806470
4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine
CID 80845799
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine
CID 80814608

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-diamine (CID 80793845) is 4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-diamine is CCC(CC)N(C)c1nc(N)nc2ccccc12.
What is the InChIKey of 4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-diamine?
The InChIKey is LXNULURUCILWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-10(5-2)18(3)13-11-8-6-7-9-12(11)16-14(15)17-13/h6-10H,4-5H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-diamine?
4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-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-3-ylquinazoline-2,4-diamine is sourced from PubChem (CID 80793845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).