6-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

C22H31N5O3 — CID 20866983

IUPAC6-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1CN1CCC(CN2CNc3c(c(=O)n(C)c(=O)n3C)C2)CC1
InChIInChI=1S/C22H31N5O3/c1-24-20-18(21(28)25(2)22(24)29)14-27(15-23-20)12-16-8-10-26(11-9-16)13-17-6-4-5-7-19(17)30-3/h4-7,16,23H,8-15H2,1-3H3
InChIKeyFHIDLSKHYNAXPS-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.19
Rot. Bonds5

About 6-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

6-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 20866983) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 6-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID20866983
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name6-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1CN1CCC(CN2CNc3c(c(=O)n(C)c(=O)n3C)C2)CC1
InChIInChI=1S/C22H31N5O3/c1-24-20-18(21(28)25(2)22(24)29)14-27(15-23-20)12-16-8-10-26(11-9-16)13-17-6-4-5-7-19(17)30-3/h4-7,16,23H,8-15H2,1-3H3
InChIKeyFHIDLSKHYNAXPS-UHFFFAOYSA-N
XLogP1.19
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one
CID 23053179
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 42458350
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid
CID 119921488
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 11897034
2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
CID 22678532
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047940
1-[(4-fluorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 2874958
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methylsulfanylacetamide
CID 42190581

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 20866983) is 6-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is COc1ccccc1CN1CCC(CN2CNc3c(c(=O)n(C)c(=O)n3C)C2)CC1.
What is the InChIKey of 6-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is FHIDLSKHYNAXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-24-20-18(21(28)25(2)22(24)29)14-27(15-23-20)12-16-8-10-26(11-9-16)13-17-6-4-5-7-19(17)30-3/h4-7,16,23H,8-15H2,1-3H3.
What are the key properties of 6-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
6-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 413.52 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 20866983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).