6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione

C12H18N6O2 — CID 115887019

IUPAC6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione
SMILESCCc1nn(C)cc1CNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N6O2/c1-4-8-7(6-17(2)16-8)5-14-9-10(13)18(3)12(20)15-11(9)19/h6,14H,4-5,13H2,1-3H3,(H,15,19,20)
InChIKeyOFPIACBVMWJTMB-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.44
Rot. Bonds4

About 6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione

6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione (PubChem CID 115887019) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione
PubChem CID115887019
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione
SMILESCCc1nn(C)cc1CNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N6O2/c1-4-8-7(6-17(2)16-8)5-14-9-10(13)18(3)12(20)15-11(9)19/h6,14H,4-5,13H2,1-3H3,(H,15,19,20)
InChIKeyOFPIACBVMWJTMB-UHFFFAOYSA-N
XLogP-0.44
TPSA110.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione
CID 82739473
6-amino-1-methyl-5-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-2,4-dione
CID 103703856
2,4,6-tribromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112668796
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 115885710
6-amino-1-methyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2,4-dione
CID 103736695
6-amino-1-methyl-5-(2-pyrazol-1-ylethylamino)pyrimidine-2,4-dione
CID 61067211
methyl 3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzoate
CID 115991543
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 112672189
5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 112668218
6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 54935174
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxy-2-methylpropanamide
CID 103430361
6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione
CID 60710951

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione (CID 115887019) is 6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione is CCc1nn(C)cc1CNc1c(N)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione?
The InChIKey is OFPIACBVMWJTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-4-8-7(6-17(2)16-8)5-14-9-10(13)18(3)12(20)15-11(9)19/h6,14H,4-5,13H2,1-3H3,(H,15,19,20).
What are the key properties of 6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione?
6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione has a molecular weight of 278.32 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 115887019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).