1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine

C12H18N4O2S — CID 103278632

IUPAC1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine
SMILESNC1CCN(c2ncc3c(n2)CCS(=O)(=O)C3)CC1
InChIInChI=1S/C12H18N4O2S/c13-10-1-4-16(5-2-10)12-14-7-9-8-19(17,18)6-3-11(9)15-12/h7,10H,1-6,8,13H2
InChIKeyYZTCQHHMXSXXQN-UHFFFAOYSA-N
MW282.37 g/mol
LogP-0.12
Rot. Bonds1

About 1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine

1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine (PubChem CID 103278632) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine
PubChem CID103278632
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine
SMILESNC1CCN(c2ncc3c(n2)CCS(=O)(=O)C3)CC1
InChIInChI=1S/C12H18N4O2S/c13-10-1-4-16(5-2-10)12-14-7-9-8-19(17,18)6-3-11(9)15-12/h7,10H,1-6,8,13H2
InChIKeyYZTCQHHMXSXXQN-UHFFFAOYSA-N
XLogP-0.12
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine with MolForge

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Related Compounds

6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 63548744
1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine
CID 103278643
1-(6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-4-amine
CID 103278645
2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine
CID 86263335
(6R)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-6-amine
CID 28820466
1-(6,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine
CID 103278607
1-(8,8-dimethyl-6,7-dihydro-5H-quinazolin-2-yl)piperidin-4-amine
CID 103278609
1-spiro[7,8-dihydro-5H-quinazoline-6,1'-cyclopentane]-2-ylpiperidin-3-amine
CID 103278484
1-(5,5,7,7-tetramethyl-6,8-dihydroquinazolin-2-yl)piperidin-4-amine
CID 103278576
6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 104609529
1-(5,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine
CID 103278608
1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-amine
CID 103278591

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine?
The IUPAC name of 1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine (CID 103278632) is 1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine is NC1CCN(c2ncc3c(n2)CCS(=O)(=O)C3)CC1.
What is the InChIKey of 1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine?
The InChIKey is YZTCQHHMXSXXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c13-10-1-4-16(5-2-10)12-14-7-9-8-19(17,18)6-3-11(9)15-12/h7,10H,1-6,8,13H2.
What are the key properties of 1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine?
1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine has a molecular weight of 282.37 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine is sourced from PubChem (CID 103278632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).