1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(furan-2-ylmethyl)urea

C13H17N5O2 — CID 75444257

IUPAC1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(furan-2-ylmethyl)urea
SMILESCN(C)c1nccc(CNC(=O)NCc2ccco2)n1
InChIInChI=1S/C13H17N5O2/c1-18(2)12-14-6-5-10(17-12)8-15-13(19)16-9-11-4-3-7-20-11/h3-7H,8-9H2,1-2H3,(H2,15,16,19)
InChIKeyXJKFCEPUGVWTGQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.13
Rot. Bonds5

About 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(furan-2-ylmethyl)urea

1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(furan-2-ylmethyl)urea (PubChem CID 75444257) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(furan-2-ylmethyl)urea
PubChem CID75444257
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(furan-2-ylmethyl)urea
SMILESCN(C)c1nccc(CNC(=O)NCc2ccco2)n1
InChIInChI=1S/C13H17N5O2/c1-18(2)12-14-6-5-10(17-12)8-15-13(19)16-9-11-4-3-7-20-11/h3-7H,8-9H2,1-2H3,(H2,15,16,19)
InChIKeyXJKFCEPUGVWTGQ-UHFFFAOYSA-N
XLogP1.13
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(furan-2-ylmethyl)urea (CID 75444257) is 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(furan-2-ylmethyl)urea is CN(C)c1nccc(CNC(=O)NCc2ccco2)n1.
What is the InChIKey of 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(furan-2-ylmethyl)urea?
The InChIKey is XJKFCEPUGVWTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-18(2)12-14-6-5-10(17-12)8-15-13(19)16-9-11-4-3-7-20-11/h3-7H,8-9H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(furan-2-ylmethyl)urea?
1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(furan-2-ylmethyl)urea has a molecular weight of 275.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 75444257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).