5-amino-2-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one

C10H19N5O — CID 20570045

IUPAC5-amino-2-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CC)CCNc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C10H19N5O/c1-3-15(4-2)6-5-12-10-13-7-8(11)9(16)14-10/h7H,3-6,11H2,1-2H3,(H2,12,13,14,16)
InChIKeyGDVOLPYVSVSNSN-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.11
Rot. Bonds6

About 5-amino-2-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one

5-amino-2-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one (PubChem CID 20570045) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 5-amino-2-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one
PubChem CID20570045
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name5-amino-2-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CC)CCNc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C10H19N5O/c1-3-15(4-2)6-5-12-10-13-7-8(11)9(16)14-10/h7H,3-6,11H2,1-2H3,(H2,12,13,14,16)
InChIKeyGDVOLPYVSVSNSN-UHFFFAOYSA-N
XLogP0.11
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one (CID 20570045) is 5-amino-2-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one is CCN(CC)CCNc1ncc(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-2-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is GDVOLPYVSVSNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-15(4-2)6-5-12-10-13-7-8(11)9(16)14-10/h7H,3-6,11H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 5-amino-2-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one?
5-amino-2-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 225.30 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 20570045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).