5-[(1H-indazol-7-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H15N5O2 — CID 43730764

IUPAC5-[(1H-indazol-7-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNc2cccc3cn[nH]c23)c(=O)n(C)c1=O
InChIInChI=1S/C14H15N5O2/c1-18-8-10(13(20)19(2)14(18)21)6-15-11-5-3-4-9-7-16-17-12(9)11/h3-5,7-8,15H,6H2,1-2H3,(H,16,17)
InChIKeyRWEVVOQYZOIDRW-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.57
Rot. Bonds3

About 5-[(1H-indazol-7-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[(1H-indazol-7-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43730764) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 5-[(1H-indazol-7-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(1H-indazol-7-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43730764
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name5-[(1H-indazol-7-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNc2cccc3cn[nH]c23)c(=O)n(C)c1=O
InChIInChI=1S/C14H15N5O2/c1-18-8-10(13(20)19(2)14(18)21)6-15-11-5-3-4-9-7-16-17-12(9)11/h3-5,7-8,15H,6H2,1-2H3,(H,16,17)
InChIKeyRWEVVOQYZOIDRW-UHFFFAOYSA-N
XLogP0.57
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1H-indazol-7-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(1H-indazol-7-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43730764) is 5-[(1H-indazol-7-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(1H-indazol-7-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(1H-indazol-7-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNc2cccc3cn[nH]c23)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(1H-indazol-7-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is RWEVVOQYZOIDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-18-8-10(13(20)19(2)14(18)21)6-15-11-5-3-4-9-7-16-17-12(9)11/h3-5,7-8,15H,6H2,1-2H3,(H,16,17).
What are the key properties of 5-[(1H-indazol-7-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(1H-indazol-7-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 285.31 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1H-indazol-7-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43730764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).