N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide

C13H17N5O2 — CID 122319704

IUPACN-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide
SMILESCN(C)c1ncc(NC(=O)c2ccoc2)c(N(C)C)n1
InChIInChI=1S/C13H17N5O2/c1-17(2)11-10(7-14-13(16-11)18(3)4)15-12(19)9-5-6-20-8-9/h5-8H,1-4H3,(H,15,19)
InChIKeyJSGFXISGBVWLDM-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.45
Rot. Bonds4

About N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide (PubChem CID 122319704) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide
PubChem CID122319704
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide
SMILESCN(C)c1ncc(NC(=O)c2ccoc2)c(N(C)C)n1
InChIInChI=1S/C13H17N5O2/c1-17(2)11-10(7-14-13(16-11)18(3)4)15-12(19)9-5-6-20-8-9/h5-8H,1-4H3,(H,15,19)
InChIKeyJSGFXISGBVWLDM-UHFFFAOYSA-N
XLogP1.45
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide?
The IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide (CID 122319704) is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide.
What is the SMILES notation for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide?
The canonical SMILES for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide is CN(C)c1ncc(NC(=O)c2ccoc2)c(N(C)C)n1.
What is the InChIKey of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide?
The InChIKey is JSGFXISGBVWLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-17(2)11-10(7-14-13(16-11)18(3)4)15-12(19)9-5-6-20-8-9/h5-8H,1-4H3,(H,15,19).
What are the key properties of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide?
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide is sourced from PubChem (CID 122319704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).