6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine

C11H15N5O — CID 66327056

IUPAC6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
SMILESCCOc1ncnc(NCc2cn[nH]c2)c1C
InChIInChI=1S/C11H15N5O/c1-3-17-11-8(2)10(13-7-14-11)12-4-9-5-15-16-6-9/h5-7H,3-4H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyFKNINTQPJDVJSZ-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.52
Rot. Bonds5

About 6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine

6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine (PubChem CID 66327056) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
PubChem CID66327056
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
SMILESCCOc1ncnc(NCc2cn[nH]c2)c1C
InChIInChI=1S/C11H15N5O/c1-3-17-11-8(2)10(13-7-14-11)12-4-9-5-15-16-6-9/h5-7H,3-4H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyFKNINTQPJDVJSZ-UHFFFAOYSA-N
XLogP1.52
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 114332523
6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66325638
N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326004
6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66327674
6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 66327283
5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 54897353
6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 114128058
6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine
CID 114694686
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 66325204
N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327604
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine (CID 66327056) is 6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine is CCOc1ncnc(NCc2cn[nH]c2)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is FKNINTQPJDVJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-17-11-8(2)10(13-7-14-11)12-4-9-5-15-16-6-9/h5-7H,3-4H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine?
6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 233.28 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66327056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).