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

C12H19N5O — CID 117101794

IUPAC2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOc1nc2c(c(N3CCNCC3)n1)CCNC2
InChIInChI=1S/C12H19N5O/c1-18-12-15-10-8-14-3-2-9(10)11(16-12)17-6-4-13-5-7-17/h13-14H,2-8H2,1H3
InChIKeyIDODRMRTXHBMBC-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.46
Rot. Bonds2

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

2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 117101794) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID117101794
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOc1nc2c(c(N3CCNCC3)n1)CCNC2
InChIInChI=1S/C12H19N5O/c1-18-12-15-10-8-14-3-2-9(10)11(16-12)17-6-4-13-5-7-17/h13-14H,2-8H2,1H3
InChIKeyIDODRMRTXHBMBC-UHFFFAOYSA-N
XLogP-0.46
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 117101784
2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 142595211
tert-butyl 3-(2-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 163223039
4-(1,3-dihydroisoindol-2-yl)-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117102085
4-(azepan-1-yl)-2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 117101729
2-methoxy-9-methyl-6-piperazin-1-ylpurine
CID 15016753
4-chloro-2-methoxy-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 117101171
2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117102036
acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine
CID 142595723
acetonitrile;2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine
CID 142595210
4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 117101883
2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101810

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 117101794) is 2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is COc1nc2c(c(N3CCNCC3)n1)CCNC2.
What is the InChIKey of 2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is IDODRMRTXHBMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-18-12-15-10-8-14-3-2-9(10)11(16-12)17-6-4-13-5-7-17/h13-14H,2-8H2,1H3.
What are the key properties of 2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 249.32 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 117101794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).