4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid

C15H17N7O3 — CID 67385184

IUPAC4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C(=O)O)cn1
InChIInChI=1S/C15H17N7O3/c16-13-17-7-9(8-18-13)11-10-1-2-22(15(23)24)12(10)20-14(19-11)21-3-5-25-6-4-21/h7-8H,1-6H2,(H,23,24)(H2,16,17,18)
InChIKeyARGAWTFSOZNOJN-UHFFFAOYSA-N
MW343.35 g/mol
LogP0.39
Rot. Bonds2

About 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid

4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid (PubChem CID 67385184) has the molecular formula C15H17N7O3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid
PubChem CID67385184
Molecular FormulaC15H17N7O3
Molecular Weight343.35 g/mol
Exact Mass343.14
IUPAC Name4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C(=O)O)cn1
InChIInChI=1S/C15H17N7O3/c16-13-17-7-9(8-18-13)11-10-1-2-22(15(23)24)12(10)20-14(19-11)21-3-5-25-6-4-21/h7-8H,1-6H2,(H,23,24)(H2,16,17,18)
InChIKeyARGAWTFSOZNOJN-UHFFFAOYSA-N
XLogP0.39
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone
CID 59244458
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbothioic S-acid;benzamide
CID 87380318
1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-4-morpholin-4-ylbutane-1,2-dione
CID 67386325
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 154005637
(3R)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylic acid
CID 118436239
N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide
CID 59244650
5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
CID 118444322
(1S,4S,5S)-5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.1.1]hexane-2-carboxylic acid
CID 118436425
1-[(3R)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]ethanone
CID 118436386
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(piperazine-1-carbonyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbothioamide
CID 89191214
5-[7-(1-methylsulfonylazetidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 118444261
4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 59244554

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid (CID 67385184) is 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid is Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C(=O)O)cn1.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid?
The InChIKey is ARGAWTFSOZNOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3/c16-13-17-7-9(8-18-13)11-10-1-2-22(15(23)24)12(10)20-14(19-11)21-3-5-25-6-4-21/h7-8H,1-6H2,(H,23,24)(H2,16,17,18).
What are the key properties of 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid?
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid has a molecular weight of 343.35 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 67385184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).