5-[3-(dimethylamino)propyl]-6-methyl-1H-pyrimidin-2-one

C10H17N3O — CID 178111586

IUPAC5-[3-(dimethylamino)propyl]-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)ncc1CCCN(C)C
InChIInChI=1S/C10H17N3O/c1-8-9(5-4-6-13(2)3)7-11-10(14)12-8/h7H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyBKWYXCJZNWXXRD-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.57
Rot. Bonds4

About 5-[3-(dimethylamino)propyl]-6-methyl-1H-pyrimidin-2-one

5-[3-(dimethylamino)propyl]-6-methyl-1H-pyrimidin-2-one (PubChem CID 178111586) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl]-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl]-6-methyl-1H-pyrimidin-2-one
PubChem CID178111586
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-[3-(dimethylamino)propyl]-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)ncc1CCCN(C)C
InChIInChI=1S/C10H17N3O/c1-8-9(5-4-6-13(2)3)7-11-10(14)12-8/h7H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyBKWYXCJZNWXXRD-UHFFFAOYSA-N
XLogP0.57
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl]-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 5-[3-(dimethylamino)propyl]-6-methyl-1H-pyrimidin-2-one (CID 178111586) is 5-[3-(dimethylamino)propyl]-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[3-(dimethylamino)propyl]-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-[3-(dimethylamino)propyl]-6-methyl-1H-pyrimidin-2-one is Cc1[nH]c(=O)ncc1CCCN(C)C.
What is the InChIKey of 5-[3-(dimethylamino)propyl]-6-methyl-1H-pyrimidin-2-one?
The InChIKey is BKWYXCJZNWXXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-9(5-4-6-13(2)3)7-11-10(14)12-8/h7H,4-6H2,1-3H3,(H,11,12,14).
What are the key properties of 5-[3-(dimethylamino)propyl]-6-methyl-1H-pyrimidin-2-one?
5-[3-(dimethylamino)propyl]-6-methyl-1H-pyrimidin-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl]-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 178111586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).