N-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine

C13H20N4S — CID 155692014

IUPACN-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine
SMILESCCc1nc(NC2CCCC2)c2c(n1)SCCN2
InChIInChI=1S/C13H20N4S/c1-2-10-16-12(15-9-5-3-4-6-9)11-13(17-10)18-8-7-14-11/h9,14H,2-8H2,1H3,(H,15,16,17)
InChIKeyQQBHSAPGJOCHDB-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.91
Rot. Bonds3

About N-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine

N-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine (PubChem CID 155692014) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine
PubChem CID155692014
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine
SMILESCCc1nc(NC2CCCC2)c2c(n1)SCCN2
InChIInChI=1S/C13H20N4S/c1-2-10-16-12(15-9-5-3-4-6-9)11-13(17-10)18-8-7-14-11/h9,14H,2-8H2,1H3,(H,15,16,17)
InChIKeyQQBHSAPGJOCHDB-UHFFFAOYSA-N
XLogP2.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine?
The IUPAC name of N-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine (CID 155692014) is N-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine.
What is the SMILES notation for N-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine?
The canonical SMILES for N-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine is CCc1nc(NC2CCCC2)c2c(n1)SCCN2.
What is the InChIKey of N-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine?
The InChIKey is QQBHSAPGJOCHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-2-10-16-12(15-9-5-3-4-6-9)11-13(17-10)18-8-7-14-11/h9,14H,2-8H2,1H3,(H,15,16,17).
What are the key properties of N-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine?
N-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine has a molecular weight of 264.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine is sourced from PubChem (CID 155692014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).