1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione

C17H23N5O2 — CID 86773811

IUPAC1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione
SMILESCn1c(CN2CCC(CNc3ccccn3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H23N5O2/c1-20-14(9-16(23)21(2)17(20)24)12-22-8-6-13(11-22)10-19-15-5-3-4-7-18-15/h3-5,7,9,13H,6,8,10-12H2,1-2H3,(H,18,19)
InChIKeyQWBBUPMKMSGZNG-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.41
Rot. Bonds5

About 1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione (PubChem CID 86773811) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione
PubChem CID86773811
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione
SMILESCn1c(CN2CCC(CNc3ccccn3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H23N5O2/c1-20-14(9-16(23)21(2)17(20)24)12-22-8-6-13(11-22)10-19-15-5-3-4-7-18-15/h3-5,7,9,13H,6,8,10-12H2,1-2H3,(H,18,19)
InChIKeyQWBBUPMKMSGZNG-UHFFFAOYSA-N
XLogP0.41
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione (CID 86773811) is 1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione is Cn1c(CN2CCC(CNc3ccccn3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is QWBBUPMKMSGZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-20-14(9-16(23)21(2)17(20)24)12-22-8-6-13(11-22)10-19-15-5-3-4-7-18-15/h3-5,7,9,13H,6,8,10-12H2,1-2H3,(H,18,19).
What are the key properties of 1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 329.40 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 86773811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).