5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one

C10H16N4OS — CID 136811834

IUPAC5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCSC1CCCC1Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4OS/c1-16-7-4-2-3-6(7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4,11H2,1H3,(H2,12,13,14,15)
InChIKeyHCLRBLLUZAYYPU-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.05
Rot. Bonds3

About 5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136811834) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
PubChem CID136811834
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCSC1CCCC1Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4OS/c1-16-7-4-2-3-6(7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4,11H2,1H3,(H2,12,13,14,15)
InChIKeyHCLRBLLUZAYYPU-UHFFFAOYSA-N
XLogP1.05
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135548953
5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726599
5-amino-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730576
5-amino-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730586
5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
CID 136762584
5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762594
5-amino-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136778319
5-iodo-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778330
4-[(3-ethylsulfanylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136778334
5-amino-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778336
4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778340
5-amino-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778342

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (CID 136811834) is 5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is CSC1CCCC1Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is HCLRBLLUZAYYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-16-7-4-2-3-6(7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 240.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136811834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).