5-amino-4-(2-methylsulfanylpropylamino)-1H-pyrimidin-6-one

C8H14N4OS — CID 136977013

IUPAC5-amino-4-(2-methylsulfanylpropylamino)-1H-pyrimidin-6-one
SMILESCSC(C)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4OS/c1-5(14-2)3-10-7-6(9)8(13)12-4-11-7/h4-5H,3,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyWQOXBGOIAARSFW-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.52
Rot. Bonds4

About 5-amino-4-(2-methylsulfanylpropylamino)-1H-pyrimidin-6-one

5-amino-4-(2-methylsulfanylpropylamino)-1H-pyrimidin-6-one (PubChem CID 136977013) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-amino-4-(2-methylsulfanylpropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-methylsulfanylpropylamino)-1H-pyrimidin-6-one
PubChem CID136977013
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name5-amino-4-(2-methylsulfanylpropylamino)-1H-pyrimidin-6-one
SMILESCSC(C)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4OS/c1-5(14-2)3-10-7-6(9)8(13)12-4-11-7/h4-5H,3,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyWQOXBGOIAARSFW-UHFFFAOYSA-N
XLogP0.52
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
5-amino-4-[2-(trifluoromethylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136842338
5-Amino-2-(2'-ethylmercapto-ethylamino)4-hydroxy-pyrimidine
CID 20570030
5-amino-2-(2-methylsulfanylethylamino)-1H-pyrimidin-6-one
CID 20570048
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
2-amino-6-(methylsulfanylmethyl)-7,8-dihydro-3H-pteridin-4-one
CID 170275131
4-(butylamino)-5-methylsulfanyl-1H-pyrimidin-6-one
CID 173528036
5-amino-4-(butan-2-ylamino)-1H-pyrimidin-6-one
CID 135575730
5-amino-4-(butylamino)-1H-pyrimidin-6-one
CID 135786480
5-amino-4-(propylamino)-1H-pyrimidin-6-one
CID 135786482
4-amino-5-(propylamino)-2-propylsulfanyl-1H-pyrimidin-6-one
CID 136137636
1-[2-[(5-isocyano-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3-methylurea
CID 136211718

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-methylsulfanylpropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-methylsulfanylpropylamino)-1H-pyrimidin-6-one (CID 136977013) is 5-amino-4-(2-methylsulfanylpropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-methylsulfanylpropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-methylsulfanylpropylamino)-1H-pyrimidin-6-one is CSC(C)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2-methylsulfanylpropylamino)-1H-pyrimidin-6-one?
The InChIKey is WQOXBGOIAARSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-5(14-2)3-10-7-6(9)8(13)12-4-11-7/h4-5H,3,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-amino-4-(2-methylsulfanylpropylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-methylsulfanylpropylamino)-1H-pyrimidin-6-one has a molecular weight of 214.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-methylsulfanylpropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136977013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).