N-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C12H17N3O2S — CID 62833160

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESO=S1(=O)CCC(CNc2ncnc3c2CCC3)C1
InChIInChI=1S/C12H17N3O2S/c16-18(17)5-4-9(7-18)6-13-12-10-2-1-3-11(10)14-8-15-12/h8-9H,1-7H2,(H,13,14,15)
InChIKeyWZIWZYJMUMFGGE-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.81
Rot. Bonds3

About N-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62833160) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62833160
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESO=S1(=O)CCC(CNc2ncnc3c2CCC3)C1
InChIInChI=1S/C12H17N3O2S/c16-18(17)5-4-9(7-18)6-13-12-10-2-1-3-11(10)14-8-15-12/h8-9H,1-7H2,(H,13,14,15)
InChIKeyWZIWZYJMUMFGGE-UHFFFAOYSA-N
XLogP0.81
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine with MolForge

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Related Compounds

4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80822810
N-[(3-methylcyclopentyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107414057
2-[(1,1-dioxothiolan-3-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62709304
3-[(1,1-dioxothiolan-3-yl)methylamino]-1H-pyrazin-2-one
CID 115650209
4-N-[(1,1-dioxothiolan-3-yl)methyl]quinazoline-4,6-diamine
CID 64588908
N-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102200
N-cyclopropyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62832253
N-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80586380
3-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-4-methylpyridin-2-amine
CID 106875559
4-N-[(1,1-dioxothiolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 80822562
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 95877228
N-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 113233517

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62833160) is N-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is O=S1(=O)CCC(CNc2ncnc3c2CCC3)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is WZIWZYJMUMFGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c16-18(17)5-4-9(7-18)6-13-12-10-2-1-3-11(10)14-8-15-12/h8-9H,1-7H2,(H,13,14,15).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 267.35 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62833160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).