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

C26H31N5O — CID 20960854

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2cccc(C)c2)C3)CC1
InChIInChI=1S/C26H31N5O/c1-20-6-5-7-21(16-20)18-29-11-10-23-22(19-29)17-27-26(28-23)31-14-12-30(13-15-31)24-8-3-4-9-25(24)32-2/h3-9,16-17H,10-15,18-19H2,1-2H3
InChIKeyKPFTXMBWCQMRLO-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.68
Rot. Bonds5

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

2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 20960854) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID20960854
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2cccc(C)c2)C3)CC1
InChIInChI=1S/C26H31N5O/c1-20-6-5-7-21(16-20)18-29-11-10-23-22(19-29)17-27-26(28-23)31-14-12-30(13-15-31)24-8-3-4-9-25(24)32-2/h3-9,16-17H,10-15,18-19H2,1-2H3
InChIKeyKPFTXMBWCQMRLO-UHFFFAOYSA-N
XLogP3.68
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethylphenyl N-(2-methoxyphenyl)-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)carbamate
CID 11844764
(5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 139600336
Vuf5574
CID 4046493
N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-cyclohexyl)-pyrimidin-2-yl-amine
CID 11795011
2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005987
Piperazine, 1-(2-methoxyphenyl)-4-[(2-phenyl-1H-imidazol-4-yl)methyl]-
CID 2812858
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
4-N-(2-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328060
2-[4-(2-Methoxyphenyl)piperazin-1-ylmethyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine
CID 11697270
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)isoquinolin-1-amine
CID 49865668

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 20960854) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2cccc(C)c2)C3)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is KPFTXMBWCQMRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-20-6-5-7-21(16-20)18-29-11-10-23-22(19-29)17-27-26(28-23)31-14-12-30(13-15-31)24-8-3-4-9-25(24)32-2/h3-9,16-17H,10-15,18-19H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 429.57 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 20960854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).