1-(5,6-dimethylpyrimidin-4-yl)-N-methylmethanamine

C8H13N3 — CID 82651545

IUPAC1-(5,6-dimethylpyrimidin-4-yl)-N-methylmethanamine
SMILESCNCc1ncnc(C)c1C
InChIInChI=1S/C8H13N3/c1-6-7(2)10-5-11-8(6)4-9-3/h5,9H,4H2,1-3H3
InChIKeyKTAPXCROTCRSLA-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.81
Rot. Bonds2

About 1-(5,6-dimethylpyrimidin-4-yl)-N-methylmethanamine

1-(5,6-dimethylpyrimidin-4-yl)-N-methylmethanamine (PubChem CID 82651545) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(5,6-dimethylpyrimidin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5,6-dimethylpyrimidin-4-yl)-N-methylmethanamine
PubChem CID82651545
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-(5,6-dimethylpyrimidin-4-yl)-N-methylmethanamine
SMILESCNCc1ncnc(C)c1C
InChIInChI=1S/C8H13N3/c1-6-7(2)10-5-11-8(6)4-9-3/h5,9H,4H2,1-3H3
InChIKeyKTAPXCROTCRSLA-UHFFFAOYSA-N
XLogP0.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylpyrimidin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(5,6-dimethylpyrimidin-4-yl)-N-methylmethanamine (CID 82651545) is 1-(5,6-dimethylpyrimidin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5,6-dimethylpyrimidin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5,6-dimethylpyrimidin-4-yl)-N-methylmethanamine is CNCc1ncnc(C)c1C.
What is the InChIKey of 1-(5,6-dimethylpyrimidin-4-yl)-N-methylmethanamine?
The InChIKey is KTAPXCROTCRSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-7(2)10-5-11-8(6)4-9-3/h5,9H,4H2,1-3H3.
What are the key properties of 1-(5,6-dimethylpyrimidin-4-yl)-N-methylmethanamine?
1-(5,6-dimethylpyrimidin-4-yl)-N-methylmethanamine has a molecular weight of 151.21 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylpyrimidin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 82651545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).