N-(cyclopropylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propylacetamide

C13H21N5OS — CID 4793032

IUPACN-(cyclopropylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C13H21N5OS/c1-2-5-18(7-9-3-4-9)12(19)8-20-13-16-10(14)6-11(15)17-13/h6,9H,2-5,7-8H2,1H3,(H4,14,15,16,17)
InChIKeyCVTMMVJMXVYHCC-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.38
Rot. Bonds7

About N-(cyclopropylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propylacetamide

N-(cyclopropylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propylacetamide (PubChem CID 4793032) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propylacetamide
PubChem CID4793032
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC NameN-(cyclopropylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C13H21N5OS/c1-2-5-18(7-9-3-4-9)12(19)8-20-13-16-10(14)6-11(15)17-13/h6,9H,2-5,7-8H2,1H3,(H4,14,15,16,17)
InChIKeyCVTMMVJMXVYHCC-UHFFFAOYSA-N
XLogP1.38
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propylacetamide (CID 4793032) is N-(cyclopropylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propylacetamide is CCCN(CC1CC1)C(=O)CSc1nc(N)cc(N)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propylacetamide?
The InChIKey is CVTMMVJMXVYHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-2-5-18(7-9-3-4-9)12(19)8-20-13-16-10(14)6-11(15)17-13/h6,9H,2-5,7-8H2,1H3,(H4,14,15,16,17).
What are the key properties of N-(cyclopropylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propylacetamide?
N-(cyclopropylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propylacetamide has a molecular weight of 295.41 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propylacetamide is sourced from PubChem (CID 4793032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).