2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine

C8H15N3 — CID 67598333

IUPAC2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=NCC=CN1
InChIInChI=1S/C8H15N3/c1-11(2)7-4-8-9-5-3-6-10-8/h3,5H,4,6-7H2,1-2H3,(H,9,10)
InChIKeyGQFNLPFCQFGPCE-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.45
Rot. Bonds3

About 2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine

2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine (PubChem CID 67598333) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine
PubChem CID67598333
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=NCC=CN1
InChIInChI=1S/C8H15N3/c1-11(2)7-4-8-9-5-3-6-10-8/h3,5H,4,6-7H2,1-2H3,(H,9,10)
InChIKeyGQFNLPFCQFGPCE-UHFFFAOYSA-N
XLogP0.45
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine (CID 67598333) is 2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine is CN(C)CCC1=NCC=CN1.
What is the InChIKey of 2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine?
The InChIKey is GQFNLPFCQFGPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-11(2)7-4-8-9-5-3-6-10-8/h3,5H,4,6-7H2,1-2H3,(H,9,10).
What are the key properties of 2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine?
2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine has a molecular weight of 153.23 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 67598333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).