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

C8H13N3O2 — CID 43552092

IUPAC1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine
SMILESCNCc1c(OC)ncnc1OC
InChIInChI=1S/C8H13N3O2/c1-9-4-6-7(12-2)10-5-11-8(6)13-3/h5,9H,4H2,1-3H3
InChIKeyGKIWZJVYRCZDHO-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.21
Rot. Bonds4

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

1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine (PubChem CID 43552092) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine
PubChem CID43552092
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine
SMILESCNCc1c(OC)ncnc1OC
InChIInChI=1S/C8H13N3O2/c1-9-4-6-7(12-2)10-5-11-8(6)13-3/h5,9H,4H2,1-3H3
InChIKeyGKIWZJVYRCZDHO-UHFFFAOYSA-N
XLogP0.21
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine (CID 43552092) is 1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine is CNCc1c(OC)ncnc1OC.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine?
The InChIKey is GKIWZJVYRCZDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-9-4-6-7(12-2)10-5-11-8(6)13-3/h5,9H,4H2,1-3H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine?
1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine has a molecular weight of 183.21 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine is sourced from PubChem (CID 43552092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).