6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione

C22H27N5O4S — CID 16535636

IUPAC6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCCCn1c(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)nc2ccccc2c1=O
InChIInChI=1S/C22H27N5O4S/c1-5-10-26-19(29)14-8-6-7-9-15(14)24-21(26)32-12-16(28)17-18(23)27(11-13(2)3)22(31)25(4)20(17)30/h6-9,13H,5,10-12,23H2,1-4H3
InChIKeyWIHLRVJTVZIVLM-UHFFFAOYSA-N
MW457.56 g/mol
LogP1.88
Rot. Bonds8

About 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione

6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione (PubChem CID 16535636) has the molecular formula C22H27N5O4S and a molecular weight of 457.56 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
PubChem CID16535636
Molecular FormulaC22H27N5O4S
Molecular Weight457.56 g/mol
Exact Mass457.18
IUPAC Name6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCCCn1c(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)nc2ccccc2c1=O
InChIInChI=1S/C22H27N5O4S/c1-5-10-26-19(29)14-8-6-7-9-15(14)24-21(26)32-12-16(28)17-18(23)27(11-13(2)3)22(31)25(4)20(17)30/h6-9,13H,5,10-12,23H2,1-4H3
InChIKeyWIHLRVJTVZIVLM-UHFFFAOYSA-N
XLogP1.88
TPSA121.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6-amino-3-methyl-5-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4304150
6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 16534778
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-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 4804920
6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
CID 7145291
6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 9324737
6-amino-1-(2-methylpropyl)-5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 42456538
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 4819871
6-amino-5-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 3947933
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 2092522
6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 3922487
N,N-diethyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1432178

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione (CID 16535636) is 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione is CCCn1c(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)nc2ccccc2c1=O.
What is the InChIKey of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The InChIKey is WIHLRVJTVZIVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4S/c1-5-10-26-19(29)14-8-6-7-9-15(14)24-21(26)32-12-16(28)17-18(23)27(11-13(2)3)22(31)25(4)20(17)30/h6-9,13H,5,10-12,23H2,1-4H3.
What are the key properties of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione?
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione has a molecular weight of 457.56 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 16535636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).