N-propan-2-yl-5-pyrimidin-5-ylfuran-2-carboxamide

C12H13N3O2 — CID 39796765

IUPACN-propan-2-yl-5-pyrimidin-5-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2cncnc2)o1
InChIInChI=1S/C12H13N3O2/c1-8(2)15-12(16)11-4-3-10(17-11)9-5-13-7-14-6-9/h3-8H,1-2H3,(H,15,16)
InChIKeyYJNUDDCYUADCNN-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.87
Rot. Bonds3

About N-propan-2-yl-5-pyrimidin-5-ylfuran-2-carboxamide

N-propan-2-yl-5-pyrimidin-5-ylfuran-2-carboxamide (PubChem CID 39796765) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-propan-2-yl-5-pyrimidin-5-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-pyrimidin-5-ylfuran-2-carboxamide
PubChem CID39796765
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-propan-2-yl-5-pyrimidin-5-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2cncnc2)o1
InChIInChI=1S/C12H13N3O2/c1-8(2)15-12(16)11-4-3-10(17-11)9-5-13-7-14-6-9/h3-8H,1-2H3,(H,15,16)
InChIKeyYJNUDDCYUADCNN-UHFFFAOYSA-N
XLogP1.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-pyrimidin-5-ylfuran-2-carboxamide?
The IUPAC name of N-propan-2-yl-5-pyrimidin-5-ylfuran-2-carboxamide (CID 39796765) is N-propan-2-yl-5-pyrimidin-5-ylfuran-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-5-pyrimidin-5-ylfuran-2-carboxamide?
The canonical SMILES for N-propan-2-yl-5-pyrimidin-5-ylfuran-2-carboxamide is CC(C)NC(=O)c1ccc(-c2cncnc2)o1.
What is the InChIKey of N-propan-2-yl-5-pyrimidin-5-ylfuran-2-carboxamide?
The InChIKey is YJNUDDCYUADCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8(2)15-12(16)11-4-3-10(17-11)9-5-13-7-14-6-9/h3-8H,1-2H3,(H,15,16).
What are the key properties of N-propan-2-yl-5-pyrimidin-5-ylfuran-2-carboxamide?
N-propan-2-yl-5-pyrimidin-5-ylfuran-2-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-pyrimidin-5-ylfuran-2-carboxamide is sourced from PubChem (CID 39796765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).