N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-methylpyrazol-4-amine

C11H15N5O2 — CID 43552508

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-methylpyrazol-4-amine
SMILESCOc1ncnc(OC)c1CNc1cnn(C)c1
InChIInChI=1S/C11H15N5O2/c1-16-6-8(4-15-16)12-5-9-10(17-2)13-7-14-11(9)18-3/h4,6-7,12H,5H2,1-3H3
InChIKeyXMUDUFJKKPEUTC-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.84
Rot. Bonds5

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-methylpyrazol-4-amine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-methylpyrazol-4-amine (PubChem CID 43552508) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-methylpyrazol-4-amine
PubChem CID43552508
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-methylpyrazol-4-amine
SMILESCOc1ncnc(OC)c1CNc1cnn(C)c1
InChIInChI=1S/C11H15N5O2/c1-16-6-8(4-15-16)12-5-9-10(17-2)13-7-14-11(9)18-3/h4,6-7,12H,5H2,1-3H3
InChIKeyXMUDUFJKKPEUTC-UHFFFAOYSA-N
XLogP0.84
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-methylpyrazol-4-amine (CID 43552508) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-methylpyrazol-4-amine is COc1ncnc(OC)c1CNc1cnn(C)c1.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is XMUDUFJKKPEUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-16-6-8(4-15-16)12-5-9-10(17-2)13-7-14-11(9)18-3/h4,6-7,12H,5H2,1-3H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-methylpyrazol-4-amine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-methylpyrazol-4-amine has a molecular weight of 249.27 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 43552508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).