5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one

C11H21N5O — CID 136752200

IUPAC5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CCCN(C)C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H21N5O/c1-4-16(7-5-6-15(2)3)10-9(12)11(17)14-8-13-10/h8H,4-7,12H2,1-3H3,(H,13,14,17)
InChIKeyKAPQPVYCDHOKST-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.13
Rot. Bonds6

About 5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one

5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one (PubChem CID 136752200) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
PubChem CID136752200
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CCCN(C)C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H21N5O/c1-4-16(7-5-6-15(2)3)10-9(12)11(17)14-8-13-10/h8H,4-7,12H2,1-3H3,(H,13,14,17)
InChIKeyKAPQPVYCDHOKST-UHFFFAOYSA-N
XLogP0.13
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one (CID 136752200) is 5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one is CCN(CCCN(C)C)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The InChIKey is KAPQPVYCDHOKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-16(7-5-6-15(2)3)10-9(12)11(17)14-8-13-10/h8H,4-7,12H2,1-3H3,(H,13,14,17).
What are the key properties of 5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136752200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).