ethyl 2-(5-aminopyrazin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate

C18H23N7O3 — CID 91326513

IUPACethyl 2-(5-aminopyrazin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)N1Cc2nc(-c3cnc(N)cn3)nc(N3CCOC[C@@H]3C)c2C1
InChIInChI=1S/C18H23N7O3/c1-3-28-18(26)24-8-12-14(9-24)22-16(13-6-21-15(19)7-20-13)23-17(12)25-4-5-27-10-11(25)2/h6-7,11H,3-5,8-10H2,1-2H3,(H2,19,21)/t11-/m0/s1
InChIKeyWETJHTNHSQHMOB-NSHDSACASA-N
MW385.43 g/mol
LogP1.21
Rot. Bonds3

About ethyl 2-(5-aminopyrazin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate

ethyl 2-(5-aminopyrazin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate (PubChem CID 91326513) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is ethyl 2-(5-aminopyrazin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-aminopyrazin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
PubChem CID91326513
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Nameethyl 2-(5-aminopyrazin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)N1Cc2nc(-c3cnc(N)cn3)nc(N3CCOC[C@@H]3C)c2C1
InChIInChI=1S/C18H23N7O3/c1-3-28-18(26)24-8-12-14(9-24)22-16(13-6-21-15(19)7-20-13)23-17(12)25-4-5-27-10-11(25)2/h6-7,11H,3-5,8-10H2,1-2H3,(H2,19,21)/t11-/m0/s1
InChIKeyWETJHTNHSQHMOB-NSHDSACASA-N
XLogP1.21
TPSA119.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-(5-aminopyrazin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate 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

ethyl 2-[4-(ethylcarbamoylamino)phenyl]-4-(3-methylmorpholin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 75252048
ethyl 2-[4-(ethylcarbamoylamino)phenyl]-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 46913172
ethyl 2-[4-(2-fluoroethylcarbamoylamino)phenyl]-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 86663162
ethyl 2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-4-[(3R)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 66679248
2-(4-amino-2,6-difluorophenyl)-4-(3-methylmorpholin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
CID 66687573
tert-butyl 2-(4-amino-3-fluorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 66679191
2-chloro-4-(3-methylmorpholin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
CID 87107658
5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59239620
2-[4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenyl]-4-(3-methylmorpholin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
CID 66686909
1-ethyl-3-[4-[6-(2-methoxyacetyl)-4-[(3S)-3-methylmorpholin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea
CID 59239098
tert-butyl 2-[4-(ethylcarbamoylamino)phenyl]-4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 66687179
1-ethyl-3-[4-[6-ethyl-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 46912386

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-aminopyrazin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-(5-aminopyrazin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate (CID 91326513) is ethyl 2-(5-aminopyrazin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-(5-aminopyrazin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-(5-aminopyrazin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate is CCOC(=O)N1Cc2nc(-c3cnc(N)cn3)nc(N3CCOC[C@@H]3C)c2C1.
What is the InChIKey of ethyl 2-(5-aminopyrazin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
The InChIKey is WETJHTNHSQHMOB-NSHDSACASA-N. The full InChI is InChI=1S/C18H23N7O3/c1-3-28-18(26)24-8-12-14(9-24)22-16(13-6-21-15(19)7-20-13)23-17(12)25-4-5-27-10-11(25)2/h6-7,11H,3-5,8-10H2,1-2H3,(H2,19,21)/t11-/m0/s1.
What are the key properties of ethyl 2-(5-aminopyrazin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
ethyl 2-(5-aminopyrazin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate has a molecular weight of 385.43 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-aminopyrazin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 91326513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).