2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide

C14H23N3O3S — CID 136684468

IUPAC2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSc1nc(COC)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O3S/c1-4-6-17(7-5-2)13(19)10-21-14-15-11(9-20-3)8-12(18)16-14/h8H,4-7,9-10H2,1-3H3,(H,15,16,18)
InChIKeyDNUFAOLHALHRPL-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.66
Rot. Bonds9

About 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide

2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide (PubChem CID 136684468) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide
PubChem CID136684468
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSc1nc(COC)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O3S/c1-4-6-17(7-5-2)13(19)10-21-14-15-11(9-20-3)8-12(18)16-14/h8H,4-7,9-10H2,1-3H3,(H,15,16,18)
InChIKeyDNUFAOLHALHRPL-UHFFFAOYSA-N
XLogP1.66
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide?
The IUPAC name of 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide (CID 136684468) is 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CSc1nc(COC)cc(=O)[nH]1.
What is the InChIKey of 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide?
The InChIKey is DNUFAOLHALHRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-6-17(7-5-2)13(19)10-21-14-15-11(9-20-3)8-12(18)16-14/h8H,4-7,9-10H2,1-3H3,(H,15,16,18).
What are the key properties of 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide?
2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide has a molecular weight of 313.42 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide is sourced from PubChem (CID 136684468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).