1-(2,2-diethyl-4,6-dimethyl-1H-pyrimidin-5-yl)-N,N-dimethylmethanamine

C13H25N3 — CID 45095496

IUPAC1-(2,2-diethyl-4,6-dimethyl-1H-pyrimidin-5-yl)-N,N-dimethylmethanamine
SMILESCCC1(CC)N=C(C)C(CN(C)C)=C(C)N1
InChIInChI=1S/C13H25N3/c1-7-13(8-2)14-10(3)12(9-16(5)6)11(4)15-13/h14H,7-9H2,1-6H3
InChIKeyCCOAHWMUXIJDEX-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.40
Rot. Bonds4

About 1-(2,2-diethyl-4,6-dimethyl-1H-pyrimidin-5-yl)-N,N-dimethylmethanamine

1-(2,2-diethyl-4,6-dimethyl-1H-pyrimidin-5-yl)-N,N-dimethylmethanamine (PubChem CID 45095496) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(2,2-diethyl-4,6-dimethyl-1H-pyrimidin-5-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2,2-diethyl-4,6-dimethyl-1H-pyrimidin-5-yl)-N,N-dimethylmethanamine
PubChem CID45095496
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(2,2-diethyl-4,6-dimethyl-1H-pyrimidin-5-yl)-N,N-dimethylmethanamine
SMILESCCC1(CC)N=C(C)C(CN(C)C)=C(C)N1
InChIInChI=1S/C13H25N3/c1-7-13(8-2)14-10(3)12(9-16(5)6)11(4)15-13/h14H,7-9H2,1-6H3
InChIKeyCCOAHWMUXIJDEX-UHFFFAOYSA-N
XLogP2.40
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyl-4,6-dimethyl-1H-pyrimidin-5-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2,2-diethyl-4,6-dimethyl-1H-pyrimidin-5-yl)-N,N-dimethylmethanamine (CID 45095496) is 1-(2,2-diethyl-4,6-dimethyl-1H-pyrimidin-5-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2,2-diethyl-4,6-dimethyl-1H-pyrimidin-5-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2,2-diethyl-4,6-dimethyl-1H-pyrimidin-5-yl)-N,N-dimethylmethanamine is CCC1(CC)N=C(C)C(CN(C)C)=C(C)N1.
What is the InChIKey of 1-(2,2-diethyl-4,6-dimethyl-1H-pyrimidin-5-yl)-N,N-dimethylmethanamine?
The InChIKey is CCOAHWMUXIJDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-7-13(8-2)14-10(3)12(9-16(5)6)11(4)15-13/h14H,7-9H2,1-6H3.
What are the key properties of 1-(2,2-diethyl-4,6-dimethyl-1H-pyrimidin-5-yl)-N,N-dimethylmethanamine?
1-(2,2-diethyl-4,6-dimethyl-1H-pyrimidin-5-yl)-N,N-dimethylmethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyl-4,6-dimethyl-1H-pyrimidin-5-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 45095496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).