(2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine

C9H13N3O2S — CID 82391352

IUPAC(2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine
SMILESCc1nc(CN)c2c(n1)CS(=O)(=O)CC2
InChIInChI=1S/C9H13N3O2S/c1-6-11-8(4-10)7-2-3-15(13,14)5-9(7)12-6/h2-5,10H2,1H3
InChIKeyYSMVLQKYVZNBPV-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.29
Rot. Bonds1

About (2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine

(2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine (PubChem CID 82391352) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is (2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine
PubChem CID82391352
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name(2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine
SMILESCc1nc(CN)c2c(n1)CS(=O)(=O)CC2
InChIInChI=1S/C9H13N3O2S/c1-6-11-8(4-10)7-2-3-15(13,14)5-9(7)12-6/h2-5,10H2,1H3
InChIKeyYSMVLQKYVZNBPV-UHFFFAOYSA-N
XLogP-0.29
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methanamine;hydrochloride
CID 55270015
(2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine
CID 83862863
(2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine
CID 83863642
2-(2-aminoethyl)-7,7-dioxo-3,5,6,8-tetrahydrothiopyrano[3,4-d]pyrimidin-4-one
CID 136918043
(2-methyl-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl)methanamine
CID 82414576
2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105453536
4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 105466719
2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 105473389
(1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[3,4-d]imidazol-2-yl)methanamine
CID 83851068
2-methyl-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 172576456
6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105486952
1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one
CID 83858925

Frequently Asked Questions

What is the IUPAC name of (2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine?
The IUPAC name of (2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine (CID 82391352) is (2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine.
What is the SMILES notation for (2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine?
The canonical SMILES for (2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine is Cc1nc(CN)c2c(n1)CS(=O)(=O)CC2.
What is the InChIKey of (2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine?
The InChIKey is YSMVLQKYVZNBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-11-8(4-10)7-2-3-15(13,14)5-9(7)12-6/h2-5,10H2,1H3.
What are the key properties of (2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine?
(2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine has a molecular weight of 227.29 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine is sourced from PubChem (CID 82391352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).