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

C13H22N4O2 — CID 60856280

IUPAC1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrimidine-2,4-dione
SMILESCN1CCC(CNCc2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C13H22N4O2/c1-15-5-4-10(9-15)7-14-8-11-6-12(18)17(3)13(19)16(11)2/h6,10,14H,4-5,7-9H2,1-3H3
InChIKeyCQPPDMAHMGDQIN-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.87
Rot. Bonds4

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

1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrimidine-2,4-dione (PubChem CID 60856280) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrimidine-2,4-dione
PubChem CID60856280
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrimidine-2,4-dione
SMILESCN1CCC(CNCc2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C13H22N4O2/c1-15-5-4-10(9-15)7-14-8-11-6-12(18)17(3)13(19)16(11)2/h6,10,14H,4-5,7-9H2,1-3H3
InChIKeyCQPPDMAHMGDQIN-UHFFFAOYSA-N
XLogP-0.87
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(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
N-{1-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]pyrrolidin-3-yl}acetamide
CID 91838023
1,3-Bis(b-aminoethyl)-6-methyluracil
CID 12641807
6-[(4-Aminobutylamino)methyl]uracil
CID 25210540
1,3-Bis-(omega-ethylaminopropyl)-6-methyluracil
CID 129868033
6-(3-Aminopyrrolidin-1-yl)-3-methylpyrimidine-2,4(1H,3H)-dione
CID 56770225
6-[(3R)-3-aminopyrrolidin-1-yl]-3-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 145867667
6-Methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione
CID 21331395
6-[(3-aminopropylamino)methyl]-2-methyl-2,3-dihydro-1H-pyrimidin-4-one
CID 21698041

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrimidine-2,4-dione (CID 60856280) is 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrimidine-2,4-dione is CN1CCC(CNCc2cc(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is CQPPDMAHMGDQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-15-5-4-10(9-15)7-14-8-11-6-12(18)17(3)13(19)16(11)2/h6,10,14H,4-5,7-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrimidine-2,4-dione has a molecular weight of 266.34 g/mol, XLogP of -0.87, 4 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)methylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 60856280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).