1,3-dimethyl-6-[[propyl(pyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione;hydrochloride

C14H25ClN4O2 — CID 119921569

IUPAC1,3-dimethyl-6-[[propyl(pyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione;hydrochloride
SMILESCCCN(Cc1cc(=O)n(C)c(=O)n1C)C1CCNC1.Cl
InChIInChI=1S/C14H24N4O2.ClH/c1-4-7-18(11-5-6-15-9-11)10-12-8-13(19)17(3)14(20)16(12)2;/h8,11,15H,4-7,9-10H2,1-3H3;1H
InChIKeyXHTBSNDSZYIXSS-UHFFFAOYSA-N
MW316.83 g/mol
LogP0.08
Rot. Bonds5

About 1,3-dimethyl-6-[[propyl(pyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione;hydrochloride

1,3-dimethyl-6-[[propyl(pyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione;hydrochloride (PubChem CID 119921569) has the molecular formula C14H25ClN4O2 and a molecular weight of 316.83 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[propyl(pyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-6-[[propyl(pyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione;hydrochloride
PubChem CID119921569
Molecular FormulaC14H25ClN4O2
Molecular Weight316.83 g/mol
Exact Mass316.17
IUPAC Name1,3-dimethyl-6-[[propyl(pyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione;hydrochloride
SMILESCCCN(Cc1cc(=O)n(C)c(=O)n1C)C1CCNC1.Cl
InChIInChI=1S/C14H24N4O2.ClH/c1-4-7-18(11-5-6-15-9-11)10-12-8-13(19)17(3)14(20)16(12)2;/h8,11,15H,4-7,9-10H2,1-3H3;1H
InChIKeyXHTBSNDSZYIXSS-UHFFFAOYSA-N
XLogP0.08
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
7-methyl-2-[[propyl(pyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 63304593
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
4-[[propyl(pyrrolidin-3-yl)amino]methyl]benzene-1,2-diol
CID 55204580
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921716
N-[(2-methylpyrazol-3-yl)methyl]-N-propylpiperidin-3-amine
CID 63637068
N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120838258
N-[(3-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921376

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[propyl(pyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 1,3-dimethyl-6-[[propyl(pyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione;hydrochloride (CID 119921569) is 1,3-dimethyl-6-[[propyl(pyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 1,3-dimethyl-6-[[propyl(pyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 1,3-dimethyl-6-[[propyl(pyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione;hydrochloride is CCCN(Cc1cc(=O)n(C)c(=O)n1C)C1CCNC1.Cl.
What is the InChIKey of 1,3-dimethyl-6-[[propyl(pyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione;hydrochloride?
The InChIKey is XHTBSNDSZYIXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2.ClH/c1-4-7-18(11-5-6-15-9-11)10-12-8-13(19)17(3)14(20)16(12)2;/h8,11,15H,4-7,9-10H2,1-3H3;1H.
What are the key properties of 1,3-dimethyl-6-[[propyl(pyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione;hydrochloride?
1,3-dimethyl-6-[[propyl(pyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[propyl(pyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119921569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).