N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine

C11H15N5O — CID 112670520

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCc2cn(C)nc2C)n1
InChIInChI=1S/C11H15N5O/c1-8-9(7-16(2)15-8)6-13-11-12-5-4-10(14-11)17-3/h4-5,7H,6H2,1-3H3,(H,12,13,14)
InChIKeyGLFHEJGWAKJKTB-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.14
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine (PubChem CID 112670520) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine
PubChem CID112670520
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCc2cn(C)nc2C)n1
InChIInChI=1S/C11H15N5O/c1-8-9(7-16(2)15-8)6-13-11-12-5-4-10(14-11)17-3/h4-5,7H,6H2,1-3H3,(H,12,13,14)
InChIKeyGLFHEJGWAKJKTB-UHFFFAOYSA-N
XLogP1.14
TPSA64.86 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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine (CID 112670520) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NCc2cn(C)nc2C)n1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine?
The InChIKey is GLFHEJGWAKJKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-9(7-16(2)15-8)6-13-11-12-5-4-10(14-11)17-3/h4-5,7H,6H2,1-3H3,(H,12,13,14).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 233.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 112670520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).