4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine

C12H18N6O — CID 112668285

IUPAC4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1ncnc(NCc2cn(C)nc2C)c1N
InChIInChI=1S/C12H18N6O/c1-4-19-12-10(13)11(15-7-16-12)14-5-9-6-18(3)17-8(9)2/h6-7H,4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyGBSBTHUZZPYRAR-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.11
Rot. Bonds5

About 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine

4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine (PubChem CID 112668285) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine
PubChem CID112668285
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1ncnc(NCc2cn(C)nc2C)c1N
InChIInChI=1S/C12H18N6O/c1-4-19-12-10(13)11(15-7-16-12)14-5-9-6-18(3)17-8(9)2/h6-7H,4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyGBSBTHUZZPYRAR-UHFFFAOYSA-N
XLogP1.11
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethoxy-4-N-ethylpyrimidine-4,5-diamine
CID 19135293
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-4-amine
CID 112671803
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 112672278
4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine
CID 103460119
3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine
CID 104507128
5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 112668337
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112672257
6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66327674
6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82872861
5-amino-6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 112671919
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine
CID 112676039
3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 113413721

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine (CID 112668285) is 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine is CCOc1ncnc(NCc2cn(C)nc2C)c1N.
What is the InChIKey of 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine?
The InChIKey is GBSBTHUZZPYRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-19-12-10(13)11(15-7-16-12)14-5-9-6-18(3)17-8(9)2/h6-7H,4-5,13H2,1-3H3,(H,14,15,16).
What are the key properties of 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine?
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine has a molecular weight of 262.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine is sourced from PubChem (CID 112668285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).