2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C12H19N5S — CID 117102036

IUPAC2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCSc1nc2c(c(N3CCNCC3)n1)CNCC2
InChIInChI=1S/C12H19N5S/c1-18-12-15-10-2-3-14-8-9(10)11(16-12)17-6-4-13-5-7-17/h13-14H,2-8H2,1H3
InChIKeyHQPFZLALJBJKEX-UHFFFAOYSA-N
MW265.39 g/mol
LogP0.25
Rot. Bonds2

About 2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 117102036) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID117102036
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCSc1nc2c(c(N3CCNCC3)n1)CNCC2
InChIInChI=1S/C12H19N5S/c1-18-12-15-10-2-3-14-8-9(10)11(16-12)17-6-4-13-5-7-17/h13-14H,2-8H2,1H3
InChIKeyHQPFZLALJBJKEX-UHFFFAOYSA-N
XLogP0.25
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine
CID 117101498
4-(2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
CID 155124616
N,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102022
2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 117101794
2-trimethylsilylethyl 4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 157023469
N-(cyclopropylmethyl)-2-methylsulfanyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102330
2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 3654198
2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine
CID 77231452
N,N-dimethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 83871808
4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 117101883
N-[4-(azepan-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-N'-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 90967023
2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine
CID 24885305

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 117102036) is 2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CSc1nc2c(c(N3CCNCC3)n1)CNCC2.
What is the InChIKey of 2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is HQPFZLALJBJKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-18-12-15-10-2-3-14-8-9(10)11(16-12)17-6-4-13-5-7-17/h13-14H,2-8H2,1H3.
What are the key properties of 2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 265.39 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 117102036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).