4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide

C19H20N4O2 — CID 3234078

IUPAC4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cncnc2N(C)Cc2ccco2)cc1
InChIInChI=1S/C19H20N4O2/c1-22(2)19(24)15-8-6-14(7-9-15)17-11-20-13-21-18(17)23(3)12-16-5-4-10-25-16/h4-11,13H,12H2,1-3H3
InChIKeyVPJLGNLOUKDTMN-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.07
Rot. Bonds5

About 4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide

4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide (PubChem CID 3234078) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide
PubChem CID3234078
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cncnc2N(C)Cc2ccco2)cc1
InChIInChI=1S/C19H20N4O2/c1-22(2)19(24)15-8-6-14(7-9-15)17-11-20-13-21-18(17)23(3)12-16-5-4-10-25-16/h4-11,13H,12H2,1-3H3
InChIKeyVPJLGNLOUKDTMN-UHFFFAOYSA-N
XLogP3.07
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide (CID 3234078) is 4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cncnc2N(C)Cc2ccco2)cc1.
What is the InChIKey of 4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide?
The InChIKey is VPJLGNLOUKDTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-22(2)19(24)15-8-6-14(7-9-15)17-11-20-13-21-18(17)23(3)12-16-5-4-10-25-16/h4-11,13H,12H2,1-3H3.
What are the key properties of 4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide?
4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide has a molecular weight of 336.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 3234078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).