acetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine

C23H34N4O3 — CID 91001173

IUPACacetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
SMILESCC.CC(=O)O.CCCN1CCc2c(-c3ccccc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C19H24N4O.C2H4O2.C2H6/c1-2-9-22-10-8-16-17(15-6-4-3-5-7-15)20-19(21-18(16)22)23-11-13-24-14-12-23;1-2(3)4;1-2/h3-7H,2,8-14H2,1H3;1H3,(H,3,4);1-2H3
InChIKeyHOMGMOKSXPNHIE-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.87
Rot. Bonds4

About acetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine

acetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine (PubChem CID 91001173) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is acetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine.

Molecular Properties

Compound Nameacetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
PubChem CID91001173
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Nameacetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
SMILESCC.CC(=O)O.CCCN1CCc2c(-c3ccccc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C19H24N4O.C2H4O2.C2H6/c1-2-9-22-10-8-16-17(15-6-4-3-5-7-15)20-19(21-18(16)22)23-11-13-24-14-12-23;1-2(3)4;1-2/h3-7H,2,8-14H2,1H3;1H3,(H,3,4);1-2H3
InChIKeyHOMGMOKSXPNHIE-UHFFFAOYSA-N
XLogP3.87
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze acetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine 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

3-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24890625
4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbaldehyde
CID 24888238
4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine
CID 12624037
N-[4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbonyl]phenyl]acetamide
CID 59244869
1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone
CID 59244458
3-[7-(2-chlorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol;2,2,2-trifluoroacetic acid
CID 67385238
[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 67386258
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbothioic S-acid;benzamide
CID 87380318
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid
CID 67385184
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 154005637
4-(4-ethyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 141367198
[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 59244397

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The IUPAC name of acetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine (CID 91001173) is acetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine.
What is the SMILES notation for acetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The canonical SMILES for acetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine is CC.CC(=O)O.CCCN1CCc2c(-c3ccccc3)nc(N3CCOCC3)nc21.
What is the InChIKey of acetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The InChIKey is HOMGMOKSXPNHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.C2H4O2.C2H6/c1-2-9-22-10-8-16-17(15-6-4-3-5-7-15)20-19(21-18(16)22)23-11-13-24-14-12-23;1-2(3)4;1-2/h3-7H,2,8-14H2,1H3;1H3,(H,3,4);1-2H3.
What are the key properties of acetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
acetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine has a molecular weight of 414.55 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine is sourced from PubChem (CID 91001173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).