2-benzyl-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine

C18H22N4S — CID 14878806

IUPAC2-benzyl-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
SMILESc1ccc(Cc2nc3c(c(N4CCNCC4)n2)SCCC3)cc1
InChIInChI=1S/C18H22N4S/c1-2-5-14(6-3-1)13-16-20-15-7-4-12-23-17(15)18(21-16)22-10-8-19-9-11-22/h1-3,5-6,19H,4,7-13H2
InChIKeyJYIGLEJTWRBXIC-UHFFFAOYSA-N
MW326.47 g/mol
LogP2.52
Rot. Bonds3

About 2-benzyl-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine

2-benzyl-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine (PubChem CID 14878806) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-benzyl-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-benzyl-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
PubChem CID14878806
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC Name2-benzyl-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
SMILESc1ccc(Cc2nc3c(c(N4CCNCC4)n2)SCCC3)cc1
InChIInChI=1S/C18H22N4S/c1-2-5-14(6-3-1)13-16-20-15-7-4-12-23-17(15)18(21-16)22-10-8-19-9-11-22/h1-3,5-6,19H,4,7-13H2
InChIKeyJYIGLEJTWRBXIC-UHFFFAOYSA-N
XLogP2.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)pyrrolidin-3-yl]methanol
CID 25070913
4-(4-benzyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)morpholine
CID 161423330
4-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine
CID 86686511
2-(2-phenylethyl)-4-piperazin-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 42798829
1-(4-benzylphenyl)piperazine
CID 4738749
1-benzyl-6,7-dichloro-4-piperazin-1-ylphthalazine
CID 135165515
N-benzyl-N-methyl-4-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine
CID 67100168
2-benzyl-N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 59312322
2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 4083738
4-(2-benzyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde
CID 91965838
5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride
CID 118022265
2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 91964847

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The IUPAC name of 2-benzyl-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine (CID 14878806) is 2-benzyl-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine.
What is the SMILES notation for 2-benzyl-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The canonical SMILES for 2-benzyl-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine is c1ccc(Cc2nc3c(c(N4CCNCC4)n2)SCCC3)cc1.
What is the InChIKey of 2-benzyl-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The InChIKey is JYIGLEJTWRBXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-2-5-14(6-3-1)13-16-20-15-7-4-12-23-17(15)18(21-16)22-10-8-19-9-11-22/h1-3,5-6,19H,4,7-13H2.
What are the key properties of 2-benzyl-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
2-benzyl-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine has a molecular weight of 326.47 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine is sourced from PubChem (CID 14878806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).