2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C16H17N5O2 — CID 136501828

IUPAC2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(-c3ccc(N4CCOCC4)cc3)cc2c(=O)[nH]1
InChIInChI=1S/C16H17N5O2/c17-16-19-14-12(15(22)20-16)9-13(18-14)10-1-3-11(4-2-10)21-5-7-23-8-6-21/h1-4,9H,5-8H2,(H4,17,18,19,20,22)
InChIKeyMLACSJCVOCJIAS-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.34
Rot. Bonds2

About 2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 136501828) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID136501828
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(-c3ccc(N4CCOCC4)cc3)cc2c(=O)[nH]1
InChIInChI=1S/C16H17N5O2/c17-16-19-14-12(15(22)20-16)9-13(18-14)10-1-3-11(4-2-10)21-5-7-23-8-6-21/h1-4,9H,5-8H2,(H4,17,18,19,20,22)
InChIKeyMLACSJCVOCJIAS-UHFFFAOYSA-N
XLogP1.34
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
CID 136862318
4-(1H-indazol-5-yl)-6-(4-morpholin-4-ylphenyl)-1H-pyrimidin-2-one
CID 24759584
4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 172556651
2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one
CID 140904912
6-amino-2-morpholin-4-yl-3H-quinazolin-4-one
CID 136808511
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine
CID 58874981
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
2-amino-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile
CID 118552158
4-chloro-6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118537783
12-(4-morpholin-4-ylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine
CID 163924449
5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870859

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 136501828) is 2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Nc1nc2[nH]c(-c3ccc(N4CCOCC4)cc3)cc2c(=O)[nH]1.
What is the InChIKey of 2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is MLACSJCVOCJIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c17-16-19-14-12(15(22)20-16)9-13(18-14)10-1-3-11(4-2-10)21-5-7-23-8-6-21/h1-4,9H,5-8H2,(H4,17,18,19,20,22).
What are the key properties of 2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 311.35 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136501828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).