2-(diethylamino)-4-(diethylaminomethyl)-1H-pyrimidin-6-one

C13H24N4O — CID 135574070

IUPAC2-(diethylamino)-4-(diethylaminomethyl)-1H-pyrimidin-6-one
SMILESCCN(CC)Cc1cc(=O)[nH]c(N(CC)CC)n1
InChIInChI=1S/C13H24N4O/c1-5-16(6-2)10-11-9-12(18)15-13(14-11)17(7-3)8-4/h9H,5-8,10H2,1-4H3,(H,14,15,18)
InChIKeyJNZMHTDDJCPCNV-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.46
Rot. Bonds7

About 2-(diethylamino)-4-(diethylaminomethyl)-1H-pyrimidin-6-one

2-(diethylamino)-4-(diethylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 135574070) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(diethylamino)-4-(diethylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(diethylamino)-4-(diethylaminomethyl)-1H-pyrimidin-6-one
PubChem CID135574070
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(diethylamino)-4-(diethylaminomethyl)-1H-pyrimidin-6-one
SMILESCCN(CC)Cc1cc(=O)[nH]c(N(CC)CC)n1
InChIInChI=1S/C13H24N4O/c1-5-16(6-2)10-11-9-12(18)15-13(14-11)17(7-3)8-4/h9H,5-8,10H2,1-4H3,(H,14,15,18)
InChIKeyJNZMHTDDJCPCNV-UHFFFAOYSA-N
XLogP1.46
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-(diethylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(diethylamino)-4-(diethylaminomethyl)-1H-pyrimidin-6-one (CID 135574070) is 2-(diethylamino)-4-(diethylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(diethylamino)-4-(diethylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(diethylamino)-4-(diethylaminomethyl)-1H-pyrimidin-6-one is CCN(CC)Cc1cc(=O)[nH]c(N(CC)CC)n1.
What is the InChIKey of 2-(diethylamino)-4-(diethylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is JNZMHTDDJCPCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-16(6-2)10-11-9-12(18)15-13(14-11)17(7-3)8-4/h9H,5-8,10H2,1-4H3,(H,14,15,18).
What are the key properties of 2-(diethylamino)-4-(diethylaminomethyl)-1H-pyrimidin-6-one?
2-(diethylamino)-4-(diethylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 252.36 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-(diethylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135574070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).