6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione

C24H31N5O4S — CID 16534778

IUPAC6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCCCCn1c(SCC(=O)c2c(N)n(CCC)c(=O)n(C)c2=O)nc2ccccc2c1=O
InChIInChI=1S/C24H31N5O4S/c1-4-6-7-10-14-29-21(31)16-11-8-9-12-17(16)26-23(29)34-15-18(30)19-20(25)28(13-5-2)24(33)27(3)22(19)32/h8-9,11-12H,4-7,10,13-15,25H2,1-3H3
InChIKeyUCBKDPNLKSEVHI-UHFFFAOYSA-N
MW485.61 g/mol
LogP2.80
Rot. Bonds11

About 6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 16534778) has the molecular formula C24H31N5O4S and a molecular weight of 485.61 g/mol. Its IUPAC name is 6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID16534778
Molecular FormulaC24H31N5O4S
Molecular Weight485.61 g/mol
Exact Mass485.21
IUPAC Name6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCCCCn1c(SCC(=O)c2c(N)n(CCC)c(=O)n(C)c2=O)nc2ccccc2c1=O
InChIInChI=1S/C24H31N5O4S/c1-4-6-7-10-14-29-21(31)16-11-8-9-12-17(16)26-23(29)34-15-18(30)19-20(25)28(13-5-2)24(33)27(3)22(19)32/h8-9,11-12H,4-7,10,13-15,25H2,1-3H3
InChIKeyUCBKDPNLKSEVHI-UHFFFAOYSA-N
XLogP2.80
TPSA121.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-benzyl-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methylpyrimidine-2,4-dione
CID 16534766
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 16535636
6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
CID 7145291
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2595117
6-amino-3-methyl-5-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4304150
6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 9324737
3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one
CID 7856825
2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one
CID 9329608
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide
CID 2691088
6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 6416531
2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one
CID 52727602
6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 3922487

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 16534778) is 6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCCCCn1c(SCC(=O)c2c(N)n(CCC)c(=O)n(C)c2=O)nc2ccccc2c1=O.
What is the InChIKey of 6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is UCBKDPNLKSEVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4S/c1-4-6-7-10-14-29-21(31)16-11-8-9-12-17(16)26-23(29)34-15-18(30)19-20(25)28(13-5-2)24(33)27(3)22(19)32/h8-9,11-12H,4-7,10,13-15,25H2,1-3H3.
What are the key properties of 6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 485.61 g/mol, XLogP of 2.80, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 16534778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).