5-[3-(dimethylamino)propyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one

C10H17N3O2 — CID 170867323

IUPAC5-[3-(dimethylamino)propyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(CCCN(C)C)c(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-7-11-9(14)8(10(15)12-7)5-4-6-13(2)3/h4-6H2,1-3H3,(H2,11,12,14,15)
InChIKeyNNWXSXHEEADRSD-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.28
Rot. Bonds4

About 5-[3-(dimethylamino)propyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one

5-[3-(dimethylamino)propyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 170867323) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
PubChem CID170867323
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-[3-(dimethylamino)propyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(CCCN(C)C)c(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-7-11-9(14)8(10(15)12-7)5-4-6-13(2)3/h4-6H2,1-3H3,(H2,11,12,14,15)
InChIKeyNNWXSXHEEADRSD-UHFFFAOYSA-N
XLogP0.28
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Pyrimidinol, 6-amino-2-methyl-5-propyl-
CID 135854961
5-Butyl-2-methyl-pyrimidine-4,6-diol
CID 4168469
3-(4,6-Dihydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-propionamide
CID 99983939
5-[(4,6-Dihydroxy-2-methylpyrimidin-5-yl)methyl]-2-methylpyrimidine-4,6-diol
CID 805568
4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one
CID 22943314
2-cyclopropyl-4-hydroxy-5-[3-(methylamino)propyl]-1H-pyrimidin-6-one
CID 57713872
5-Cyclopropyl-6-hydroxy-2-methyl-4(3H)-pyrimidinone
CID 66641237
4-hydroxy-2-methyl-5-piperidin-4-yl-1H-pyrimidin-6-one
CID 90956795
2,8-Dimethyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;ethane
CID 144842583
5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 150858519
4-hydroxy-2-methyl-5-propyl-1H-pyrimidin-6-one
CID 25420590
2-ethyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 46734408

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[3-(dimethylamino)propyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one (CID 170867323) is 5-[3-(dimethylamino)propyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[3-(dimethylamino)propyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[3-(dimethylamino)propyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(O)c(CCCN(C)C)c(=O)[nH]1.
What is the InChIKey of 5-[3-(dimethylamino)propyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is NNWXSXHEEADRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-11-9(14)8(10(15)12-7)5-4-6-13(2)3/h4-6H2,1-3H3,(H2,11,12,14,15).
What are the key properties of 5-[3-(dimethylamino)propyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
5-[3-(dimethylamino)propyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 170867323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).