2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-amino-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione;7H-pyrrolo[2,3-d]pyrimidin-4-amine

C20H21N13O4 — CID 167665722

IUPAC2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-amino-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione;7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ccnc(=O)[nH]1.Nc1nc2[nH]ccc2c(=O)[nH]1.Nc1ncnc2[nH]ccc12.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C6H6N4O.C6H6N4.C4H5N3O.C4H4N2O2/c7-6-9-4-3(1-2-8-4)5(11)10-6;7-5-4-1-2-8-6(4)10-3-9-5;5-3-1-2-6-4(8)7-3;7-3-1-2-5-4(8)6-3/h1-2H,(H4,7,8,9,10,11);1-3H,(H3,7,8,9,10);1-2H,(H3,5,6,7,8);1-2H,(H2,5,6,7,8)
InChIKeySPNKLHPPMKSRBI-UHFFFAOYSA-N
MW507.48 g/mol
LogP-1.21
Rot. Bonds

About 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-amino-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione;7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-amino-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione;7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167665722) has the molecular formula C20H21N13O4 and a molecular weight of 507.48 g/mol. Its IUPAC name is 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-amino-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione;7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-amino-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione;7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167665722
Molecular FormulaC20H21N13O4
Molecular Weight507.48 g/mol
Exact Mass507.18
IUPAC Name2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-amino-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione;7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ccnc(=O)[nH]1.Nc1nc2[nH]ccc2c(=O)[nH]1.Nc1ncnc2[nH]ccc12.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C6H6N4O.C6H6N4.C4H5N3O.C4H4N2O2/c7-6-9-4-3(1-2-8-4)5(11)10-6;7-5-4-1-2-8-6(4)10-3-9-5;5-3-1-2-6-4(8)7-3;7-3-1-2-5-4(8)6-3/h1-2H,(H4,7,8,9,10,11);1-3H,(H3,7,8,9,10);1-2H,(H3,5,6,7,8);1-2H,(H2,5,6,7,8)
InChIKeySPNKLHPPMKSRBI-UHFFFAOYSA-N
XLogP-1.21
TPSA292.64 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500507.48
LogP ≤ 5-1.21
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Analyze 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-amino-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione;7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 169060191
7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 22736352
6-amino-(213C,1,3-15N2)1H-pyrimidin-2-one
CID 71315153
CID 175849131
CID 175849131
2-amino-1,7-dihydropurin-6-one;3,7-dihydropurine-2,6-dione;1H-pyrimidine-2,4-dione;hydrochloride
CID 163525060
CID 157397533
CID 157397533
6-amino-5-methyl-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione
CID 19597542
7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione
CID 174663660
6-amino-1H-pyrimidin-2-one;carbamic acid
CID 67723788
6-amino-1H-pyrimidin-2-one;chromen-2-one;5-methyl-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione;thiomorpholine
CID 173098582
methylhydrazine;1H-pyrimidine-2,4-dione
CID 70486662
2-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 153328051

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-amino-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione;7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-amino-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione;7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 167665722) is 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-amino-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione;7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-amino-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione;7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-amino-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione;7H-pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ccnc(=O)[nH]1.Nc1nc2[nH]ccc2c(=O)[nH]1.Nc1ncnc2[nH]ccc12.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-amino-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione;7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SPNKLHPPMKSRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O.C6H6N4.C4H5N3O.C4H4N2O2/c7-6-9-4-3(1-2-8-4)5(11)10-6;7-5-4-1-2-8-6(4)10-3-9-5;5-3-1-2-6-4(8)7-3;7-3-1-2-5-4(8)6-3/h1-2H,(H4,7,8,9,10,11);1-3H,(H3,7,8,9,10);1-2H,(H3,5,6,7,8);1-2H,(H2,5,6,7,8).
What are the key properties of 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-amino-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione;7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-amino-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione;7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 507.48 g/mol, XLogP of -1.21, 0 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-amino-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione;7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167665722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).