2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide

C12H19N5O2S — CID 18201879

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)SC2=NC(=CC(=N2)N)N
InChIInChI=1S/C12H19N5O2S/c1-7(11(18)15-6-8-3-2-4-19-8)20-12-16-9(13)5-10(14)17-12/h5,7-8H,2-4,6H2,1H3,(H,15,18)(H4,13,14,16,17)
InChIKeyKSFVOFUKOGMVJQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.50
Rot. Bonds5

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 18201879) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
PubChem CID18201879
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)SC2=NC(=CC(=N2)N)N
InChIInChI=1S/C12H19N5O2S/c1-7(11(18)15-6-8-3-2-4-19-8)20-12-16-9(13)5-10(14)17-12/h5,7-8H,2-4,6H2,1H3,(H,15,18)(H4,13,14,16,17)
InChIKeyKSFVOFUKOGMVJQ-UHFFFAOYSA-N
XLogP0.50
TPSA141.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity323

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4,6-Diaminopyrimidin-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 16322610
2-(pyrimidin-2-ylsulfanyl)-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 16329190
[2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-acetylamino]-acetic acid ethyl ester
CID 647473
N-(2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-yl)oxolane-2-carboxamide
CID 172434666
2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 654963
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 863762
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 863763
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 2708691
2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 3506472
N-[[(2S)-oxolan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 8112450
N-[[(2R)-oxolan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 8112453
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pentylacetamide
CID 8806694

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide (CID 18201879) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide is CC(C(=O)NCC1CCCO1)SC2=NC(=CC(=N2)N)N.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is KSFVOFUKOGMVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-7(11(18)15-6-8-3-2-4-19-8)20-12-16-9(13)5-10(14)17-12/h5,7-8H,2-4,6H2,1H3,(H,15,18)(H4,13,14,16,17).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 297.38 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 18201879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).