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

C15H26N4O2 — CID 106615787

IUPAC1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione
SMILESCCCN(Cc1cc(=O)n(C)c(=O)n1C)CC1CCCN1
InChIInChI=1S/C15H26N4O2/c1-4-8-19(10-12-6-5-7-16-12)11-13-9-14(20)18(3)15(21)17(13)2/h9,12,16H,4-8,10-11H2,1-3H3
InChIKeyZLOIYHCKKHVPQW-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.05
Rot. Bonds6

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

1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione (PubChem CID 106615787) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione
PubChem CID106615787
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione
SMILESCCCN(Cc1cc(=O)n(C)c(=O)n1C)CC1CCCN1
InChIInChI=1S/C15H26N4O2/c1-4-8-19(10-12-6-5-7-16-12)11-13-9-14(20)18(3)15(21)17(13)2/h9,12,16H,4-8,10-11H2,1-3H3
InChIKeyZLOIYHCKKHVPQW-UHFFFAOYSA-N
XLogP0.05
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione
CID 106615759
N-(pyrrolidin-2-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 106603917
N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604138
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616966
N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 106603791
4-bromo-2-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107739200
N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603805
N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623545
N-[[4-(2-methylpropyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603955
5,5-dimethyl-3-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione
CID 106615832
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione (CID 106615787) is 1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione is CCCN(Cc1cc(=O)n(C)c(=O)n1C)CC1CCCN1.
What is the InChIKey of 1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione?
The InChIKey is ZLOIYHCKKHVPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-8-19(10-12-6-5-7-16-12)11-13-9-14(20)18(3)15(21)17(13)2/h9,12,16H,4-8,10-11H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione has a molecular weight of 294.40 g/mol, XLogP of 0.05, 6 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-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106615787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).