3-(5,6-dihydro-4H-pyrimidin-1-yl)-N-ethyl-N-methylpropan-1-amine

C10H21N3 — CID 142574606

IUPAC3-(5,6-dihydro-4H-pyrimidin-1-yl)-N-ethyl-N-methylpropan-1-amine
SMILESCCN(C)CCCN1C=NCCC1
InChIInChI=1S/C10H21N3/c1-3-12(2)7-5-9-13-8-4-6-11-10-13/h10H,3-9H2,1-2H3
InChIKeyOPKBQXPSYWNEFS-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.06
Rot. Bonds5

About 3-(5,6-dihydro-4H-pyrimidin-1-yl)-N-ethyl-N-methylpropan-1-amine

3-(5,6-dihydro-4H-pyrimidin-1-yl)-N-ethyl-N-methylpropan-1-amine (PubChem CID 142574606) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-pyrimidin-1-yl)-N-ethyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-pyrimidin-1-yl)-N-ethyl-N-methylpropan-1-amine
PubChem CID142574606
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name3-(5,6-dihydro-4H-pyrimidin-1-yl)-N-ethyl-N-methylpropan-1-amine
SMILESCCN(C)CCCN1C=NCCC1
InChIInChI=1S/C10H21N3/c1-3-12(2)7-5-9-13-8-4-6-11-10-13/h10H,3-9H2,1-2H3
InChIKeyOPKBQXPSYWNEFS-UHFFFAOYSA-N
XLogP1.06
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydro-4H-pyrimidin-1-yl)-N-ethyl-N-methylpropan-1-amine?
The IUPAC name of 3-(5,6-dihydro-4H-pyrimidin-1-yl)-N-ethyl-N-methylpropan-1-amine (CID 142574606) is 3-(5,6-dihydro-4H-pyrimidin-1-yl)-N-ethyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(5,6-dihydro-4H-pyrimidin-1-yl)-N-ethyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(5,6-dihydro-4H-pyrimidin-1-yl)-N-ethyl-N-methylpropan-1-amine is CCN(C)CCCN1C=NCCC1.
What is the InChIKey of 3-(5,6-dihydro-4H-pyrimidin-1-yl)-N-ethyl-N-methylpropan-1-amine?
The InChIKey is OPKBQXPSYWNEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-12(2)7-5-9-13-8-4-6-11-10-13/h10H,3-9H2,1-2H3.
What are the key properties of 3-(5,6-dihydro-4H-pyrimidin-1-yl)-N-ethyl-N-methylpropan-1-amine?
3-(5,6-dihydro-4H-pyrimidin-1-yl)-N-ethyl-N-methylpropan-1-amine has a molecular weight of 183.30 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydro-4H-pyrimidin-1-yl)-N-ethyl-N-methylpropan-1-amine is sourced from PubChem (CID 142574606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).