6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione

C14H15N7O4 — CID 24585004

IUPAC6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)Cn2cnc3c(cnn3C)c2=O)c(=O)n(C)c1=O
InChIInChI=1S/C14H15N7O4/c1-18-10(15)9(13(24)19(2)14(18)25)8(22)5-21-6-16-11-7(12(21)23)4-17-20(11)3/h4,6H,5,15H2,1-3H3
InChIKeyNEOXBKQECJCBRZ-UHFFFAOYSA-N
MW345.32 g/mol
LogP-2.01
Rot. Bonds3

About 6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione (PubChem CID 24585004) has the molecular formula C14H15N7O4 and a molecular weight of 345.32 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione
PubChem CID24585004
Molecular FormulaC14H15N7O4
Molecular Weight345.32 g/mol
Exact Mass345.12
IUPAC Name6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)Cn2cnc3c(cnn3C)c2=O)c(=O)n(C)c1=O
InChIInChI=1S/C14H15N7O4/c1-18-10(15)9(13(24)19(2)14(18)25)8(22)5-21-6-16-11-7(12(21)23)4-17-20(11)3/h4,6H,5,15H2,1-3H3
InChIKeyNEOXBKQECJCBRZ-UHFFFAOYSA-N
XLogP-2.01
TPSA139.80 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.32
LogP ≤ 5-2.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
6-amino-1,3-dimethyl-5-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione
CID 24584592
N-ethyl-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 134063303
potassium trifluoro-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)prop-1-en-2-yl]boranuide
CID 106746393
6-amino-1,3-dimethyl-5-[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione
CID 24564828
1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
CID 163346905
N-methoxy-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 47138210
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 18152736
ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 43423148
5-(4-bromobutyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63277468
6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione
CID 24584961
N-[(4-chlorophenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 25399300

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione (CID 24585004) is 6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione is Cn1c(N)c(C(=O)Cn2cnc3c(cnn3C)c2=O)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione?
The InChIKey is NEOXBKQECJCBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O4/c1-18-10(15)9(13(24)19(2)14(18)25)8(22)5-21-6-16-11-7(12(21)23)4-17-20(11)3/h4,6H,5,15H2,1-3H3.
What are the key properties of 6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione has a molecular weight of 345.32 g/mol, XLogP of -2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 24585004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).