(4R,8S)-2-[(4-methoxyphenyl)methyl]-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-4-carboxylic acid

C19H25N3O3 — CID 130218679

IUPAC(4R,8S)-2-[(4-methoxyphenyl)methyl]-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-4-carboxylic acid
SMILESCOc1ccc(CN2CC3=C(C)[C@H](C)N=C(C)N3[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C19H25N3O3/c1-12-13(2)20-14(3)22-17(12)10-21(11-18(22)19(23)24)9-15-5-7-16(25-4)8-6-15/h5-8,13,18H,9-11H2,1-4H3,(H,23,24)/t13-,18+/m0/s1
InChIKeyCPYQWDHVJAWBLA-SCLBCKFNSA-N
MW343.43 g/mol
LogP2.36
Rot. Bonds4

About (4R,8S)-2-[(4-methoxyphenyl)methyl]-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-4-carboxylic acid

(4R,8S)-2-[(4-methoxyphenyl)methyl]-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-4-carboxylic acid (PubChem CID 130218679) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (4R,8S)-2-[(4-methoxyphenyl)methyl]-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R,8S)-2-[(4-methoxyphenyl)methyl]-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-4-carboxylic acid
PubChem CID130218679
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(4R,8S)-2-[(4-methoxyphenyl)methyl]-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-4-carboxylic acid
SMILESCOc1ccc(CN2CC3=C(C)[C@H](C)N=C(C)N3[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C19H25N3O3/c1-12-13(2)20-14(3)22-17(12)10-21(11-18(22)19(23)24)9-15-5-7-16(25-4)8-6-15/h5-8,13,18H,9-11H2,1-4H3,(H,23,24)/t13-,18+/m0/s1
InChIKeyCPYQWDHVJAWBLA-SCLBCKFNSA-N
XLogP2.36
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R,8S)-2-[(4-methoxyphenyl)methyl]-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
(2S,4E)-4-ethylidene-1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 132555225
1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 176930266
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 96663913
(2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide
CID 95811271
4-[[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 166620619
(4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid
CID 51440155
4-benzyl-1-(4-methoxyphenyl)sulfonyl-1,4-diazepane-2-carboxylic acid
CID 22645039
4-[(4-methoxyphenyl)methyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxylic acid
CID 122437943

Frequently Asked Questions

What is the IUPAC name of (4R,8S)-2-[(4-methoxyphenyl)methyl]-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-4-carboxylic acid?
The IUPAC name of (4R,8S)-2-[(4-methoxyphenyl)methyl]-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-4-carboxylic acid (CID 130218679) is (4R,8S)-2-[(4-methoxyphenyl)methyl]-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-4-carboxylic acid.
What is the SMILES notation for (4R,8S)-2-[(4-methoxyphenyl)methyl]-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-4-carboxylic acid?
The canonical SMILES for (4R,8S)-2-[(4-methoxyphenyl)methyl]-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-4-carboxylic acid is COc1ccc(CN2CC3=C(C)[C@H](C)N=C(C)N3[C@@H](C(=O)O)C2)cc1.
What is the InChIKey of (4R,8S)-2-[(4-methoxyphenyl)methyl]-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-4-carboxylic acid?
The InChIKey is CPYQWDHVJAWBLA-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-13(2)20-14(3)22-17(12)10-21(11-18(22)19(23)24)9-15-5-7-16(25-4)8-6-15/h5-8,13,18H,9-11H2,1-4H3,(H,23,24)/t13-,18+/m0/s1.
What are the key properties of (4R,8S)-2-[(4-methoxyphenyl)methyl]-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-4-carboxylic acid?
(4R,8S)-2-[(4-methoxyphenyl)methyl]-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-4-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8S)-2-[(4-methoxyphenyl)methyl]-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 130218679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).