5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one

C24H37N5O — CID 73357984

IUPAC5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
SMILESCCCCCCCCCCC1C(=O)NC(Nc2nc(C)c3ccccc3n2)NC1C
InChIInChI=1S/C24H37N5O/c1-4-5-6-7-8-9-10-11-15-20-18(3)26-24(28-22(20)30)29-23-25-17(2)19-14-12-13-16-21(19)27-23/h12-14,16,18,20,24,26H,4-11,15H2,1-3H3,(H,28,30)(H,25,27,29)
InChIKeyHIAHSJCKVZKACK-UHFFFAOYSA-N
MW411.59 g/mol
LogP4.89
Rot. Bonds11

About 5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one

5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one (PubChem CID 73357984) has the molecular formula C24H37N5O and a molecular weight of 411.59 g/mol. Its IUPAC name is 5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one.

Molecular Properties

Compound Name5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
PubChem CID73357984
Molecular FormulaC24H37N5O
Molecular Weight411.59 g/mol
Exact Mass411.30
IUPAC Name5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
SMILESCCCCCCCCCCC1C(=O)NC(Nc2nc(C)c3ccccc3n2)NC1C
InChIInChI=1S/C24H37N5O/c1-4-5-6-7-8-9-10-11-15-20-18(3)26-24(28-22(20)30)29-23-25-17(2)19-14-12-13-16-21(19)27-23/h12-14,16,18,20,24,26H,4-11,15H2,1-3H3,(H,28,30)(H,25,27,29)
InChIKeyHIAHSJCKVZKACK-UHFFFAOYSA-N
XLogP4.89
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one
CID 78211521
2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one
CID 73258096
5-[(3-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one
CID 73357951
5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one
CID 73298570
N-cyclohexyl-4-methylquinazolin-2-amine
CID 118714792
6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 78372277
(7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 29101578
6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 122362586
2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one
CID 122362589
2-(heptylamino)-3,1-benzoxazin-4-one
CID 54169928
4-chloro-2,3-didecylquinoline
CID 141080010
3-hexyl-1,3-dihydroindol-2-one
CID 106986515

Frequently Asked Questions

What is the IUPAC name of 5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
The IUPAC name of 5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one (CID 73357984) is 5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one.
What is the SMILES notation for 5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
The canonical SMILES for 5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one is CCCCCCCCCCC1C(=O)NC(Nc2nc(C)c3ccccc3n2)NC1C.
What is the InChIKey of 5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
The InChIKey is HIAHSJCKVZKACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O/c1-4-5-6-7-8-9-10-11-15-20-18(3)26-24(28-22(20)30)29-23-25-17(2)19-14-12-13-16-21(19)27-23/h12-14,16,18,20,24,26H,4-11,15H2,1-3H3,(H,28,30)(H,25,27,29).
What are the key properties of 5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one has a molecular weight of 411.59 g/mol, XLogP of 4.89, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one is sourced from PubChem (CID 73357984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).