2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide

C16H18N4O2S — CID 34945503

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCc1cc(N)nc(SCC(=O)N[C@H]2CCOc3ccccc32)n1
InChIInChI=1S/C16H18N4O2S/c1-10-8-14(17)20-16(18-10)23-9-15(21)19-12-6-7-22-13-5-3-2-4-11(12)13/h2-5,8,12H,6-7,9H2,1H3,(H,19,21)(H2,17,18,20)/t12-/m0/s1
InChIKeyVFEGAYPEDJRNRY-LBPRGKRZSA-N
MW330.41 g/mol
LogP2.10
Rot. Bonds4

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 34945503) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID34945503
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCc1cc(N)nc(SCC(=O)N[C@H]2CCOc3ccccc32)n1
InChIInChI=1S/C16H18N4O2S/c1-10-8-14(17)20-16(18-10)23-9-15(21)19-12-6-7-22-13-5-3-2-4-11(12)13/h2-5,8,12H,6-7,9H2,1H3,(H,19,21)(H2,17,18,20)/t12-/m0/s1
InChIKeyVFEGAYPEDJRNRY-LBPRGKRZSA-N
XLogP2.10
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-naphthalen-2-ylsulfanylacetamide
CID 30803635
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 17399471
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 41036714
2-[[(7S)-4-amino-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 34652545
N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78814774
N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 46524067
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 17421944
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 78789550
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 17397593
2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18164391
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 78812704

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 34945503) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide is Cc1cc(N)nc(SCC(=O)N[C@H]2CCOc3ccccc32)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is VFEGAYPEDJRNRY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10-8-14(17)20-16(18-10)23-9-15(21)19-12-6-7-22-13-5-3-2-4-11(12)13/h2-5,8,12H,6-7,9H2,1H3,(H,19,21)(H2,17,18,20)/t12-/m0/s1.
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 34945503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).