2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C20H27N5O2 — CID 142595211

IUPAC2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCOc1nc2c(c(N3CCNCC3)n1)CCN(c1cccc(OC)c1C)C2
InChIInChI=1S/C20H27N5O2/c1-14-17(5-4-6-18(14)26-2)25-10-7-15-16(13-25)22-20(27-3)23-19(15)24-11-8-21-9-12-24/h4-6,21H,7-13H2,1-3H3
InChIKeyZYAGCCCIABTVOL-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.77
Rot. Bonds4

About 2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 142595211) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID142595211
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCOc1nc2c(c(N3CCNCC3)n1)CCN(c1cccc(OC)c1C)C2
InChIInChI=1S/C20H27N5O2/c1-14-17(5-4-6-18(14)26-2)25-10-7-15-16(13-25)22-20(27-3)23-19(15)24-11-8-21-9-12-24/h4-6,21H,7-13H2,1-3H3
InChIKeyZYAGCCCIABTVOL-UHFFFAOYSA-N
XLogP1.77
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
1-[4-[2-methoxy-7-(3-methoxy-2-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 142595099
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
1-[4-[7-(3-chloro-2-methylphenyl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 142595030
(E)-1-[4-[7-(2,3-dimethylphenyl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-4,4,4-trifluorobut-2-en-1-one
CID 146609706
2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 117101794
1-[4-[7-(2,3-dimethylphenyl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-(trifluoromethyl)prop-2-en-1-one
CID 146609563
7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 178000351
7-(2-fluoro-3-methoxynaphthalen-1-yl)-2-methyl-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 142595610
8-(3-fluoro-2-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-5,6,7,9-tetrahydropyrimido[4,5-c]azepine
CID 166673469
3-[4-[2-methoxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopent-2-en-1-one
CID 142595384
8-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalene-1-carbonitrile
CID 170572787

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 142595211) is 2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is COc1nc2c(c(N3CCNCC3)n1)CCN(c1cccc(OC)c1C)C2.
What is the InChIKey of 2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is ZYAGCCCIABTVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-17(5-4-6-18(14)26-2)25-10-7-15-16(13-25)22-20(27-3)23-19(15)24-11-8-21-9-12-24/h4-6,21H,7-13H2,1-3H3.
What are the key properties of 2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 369.47 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 142595211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).