1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine

C11H15N5O — CID 102950597

IUPAC1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCOc1cc(C(N)Cc2cnn(C)c2)ncn1
InChIInChI=1S/C11H15N5O/c1-16-6-8(5-15-16)3-9(12)10-4-11(17-2)14-7-13-10/h4-7,9H,3,12H2,1-2H3
InChIKeyMUGUJFGVCMMSHM-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.46
Rot. Bonds4

About 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine

1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 102950597) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID102950597
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCOc1cc(C(N)Cc2cnn(C)c2)ncn1
InChIInChI=1S/C11H15N5O/c1-16-6-8(5-15-16)3-9(12)10-4-11(17-2)14-7-13-10/h4-7,9H,3,12H2,1-2H3
InChIKeyMUGUJFGVCMMSHM-UHFFFAOYSA-N
XLogP0.46
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989977
[(6-methoxypyrimidin-4-yl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 102953404
1-(5-methylpyrazin-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114103
2-(1-methylpyrazol-4-yl)-1-pyrazin-2-ylethanamine
CID 62125921
1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 102950058
2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine
CID 102923318
1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 79492316
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 62125918
2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 106868880
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114026
2-ethoxy-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950788
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950787

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine (CID 102950597) is 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine is COc1cc(C(N)Cc2cnn(C)c2)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is MUGUJFGVCMMSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16-6-8(5-15-16)3-9(12)10-4-11(17-2)14-7-13-10/h4-7,9H,3,12H2,1-2H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 233.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 102950597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).