4-(methoxymethyl)-N,N-dimethylpyrimidin-2-amine

C8H13N3O — CID 10630914

IUPAC4-(methoxymethyl)-N,N-dimethylpyrimidin-2-amine
SMILESCOCc1ccnc(N(C)C)n1
InChIInChI=1S/C8H13N3O/c1-11(2)8-9-5-4-7(10-8)6-12-3/h4-5H,6H2,1-3H3
InChIKeyPOPLVTRCJSZRCY-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.69
Rot. Bonds3

About 4-(methoxymethyl)-N,N-dimethylpyrimidin-2-amine

4-(methoxymethyl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 10630914) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(methoxymethyl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-N,N-dimethylpyrimidin-2-amine
PubChem CID10630914
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-(methoxymethyl)-N,N-dimethylpyrimidin-2-amine
SMILESCOCc1ccnc(N(C)C)n1
InChIInChI=1S/C8H13N3O/c1-11(2)8-9-5-4-7(10-8)6-12-3/h4-5H,6H2,1-3H3
InChIKeyPOPLVTRCJSZRCY-UHFFFAOYSA-N
XLogP0.69
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(methoxymethyl)-N,N-dimethylpyrimidin-2-amine (CID 10630914) is 4-(methoxymethyl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(methoxymethyl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(methoxymethyl)-N,N-dimethylpyrimidin-2-amine is COCc1ccnc(N(C)C)n1.
What is the InChIKey of 4-(methoxymethyl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is POPLVTRCJSZRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11(2)8-9-5-4-7(10-8)6-12-3/h4-5H,6H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-N,N-dimethylpyrimidin-2-amine?
4-(methoxymethyl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 167.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 10630914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).