1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione

C12H20N4O2 — CID 54949681

IUPAC1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione
SMILESCN1CCC(NCc2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C12H20N4O2/c1-14-5-4-9(8-14)13-7-10-6-11(17)16(3)12(18)15(10)2/h6,9,13H,4-5,7-8H2,1-3H3
InChIKeyVMQRWDPUTKHRBJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP-1.12
Rot. Bonds3

About 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione (PubChem CID 54949681) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione
PubChem CID54949681
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione
SMILESCN1CCC(NCc2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C12H20N4O2/c1-14-5-4-9(8-14)13-7-10-6-11(17)16(3)12(18)15(10)2/h6,9,13H,4-5,7-8H2,1-3H3
InChIKeyVMQRWDPUTKHRBJ-UHFFFAOYSA-N
XLogP-1.12
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-sec-Butyl-6-methyluracil
CID 100019
Uracil, 3-butyl-6-methyl-
CID 70528
1,3-Dimethyl-6-[[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56796823
1,3-Dimethyl-6-[[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56821553
6-[[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 172433754
1-Butyl-6-methyluracil
CID 12703038
6-(3-Aminopyrrolidin-1-yl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione dihydrochloride
CID 132343958
6-[(3R)-3-aminopyrrolidin-1-yl]-3-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 145867708
6-[(3R)-3-aminopyrrolidin-1-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 165950151
N-[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]butanamide
CID 21793941
N-{1-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]pyrrolidin-3-yl}acetamide
CID 91838023
N~1~,N~2~-dimethyl-N~2~-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]glycinamide
CID 91842553

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione (CID 54949681) is 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione is CN1CCC(NCc2cc(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione?
The InChIKey is VMQRWDPUTKHRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-14-5-4-9(8-14)13-7-10-6-11(17)16(3)12(18)15(10)2/h6,9,13H,4-5,7-8H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione has a molecular weight of 252.32 g/mol, XLogP of -1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 54949681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).