4-cyclopropyl-5-[2-(furan-3-yl)-4-pyridinyl]pyrimidin-2-amine

C16H14N4O — CID 118709191

IUPAC4-cyclopropyl-5-[2-(furan-3-yl)-4-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccnc(-c3ccoc3)c2)c(C2CC2)n1
InChIInChI=1S/C16H14N4O/c17-16-19-8-13(15(20-16)10-1-2-10)11-3-5-18-14(7-11)12-4-6-21-9-12/h3-10H,1-2H2,(H2,17,19,20)
InChIKeyXPKJWPYYFLEAFQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.26
Rot. Bonds3

About 4-cyclopropyl-5-[2-(furan-3-yl)-4-pyridinyl]pyrimidin-2-amine

4-cyclopropyl-5-[2-(furan-3-yl)-4-pyridinyl]pyrimidin-2-amine (PubChem CID 118709191) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-cyclopropyl-5-[2-(furan-3-yl)-4-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-[2-(furan-3-yl)-4-pyridinyl]pyrimidin-2-amine
PubChem CID118709191
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name4-cyclopropyl-5-[2-(furan-3-yl)-4-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccnc(-c3ccoc3)c2)c(C2CC2)n1
InChIInChI=1S/C16H14N4O/c17-16-19-8-13(15(20-16)10-1-2-10)11-3-5-18-14(7-11)12-4-6-21-9-12/h3-10H,1-2H2,(H2,17,19,20)
InChIKeyXPKJWPYYFLEAFQ-UHFFFAOYSA-N
XLogP3.26
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[2-(furan-3-yl)-4-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-5-[2-(furan-3-yl)-4-pyridinyl]pyrimidin-2-amine (CID 118709191) is 4-cyclopropyl-5-[2-(furan-3-yl)-4-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-[2-(furan-3-yl)-4-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-5-[2-(furan-3-yl)-4-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2ccnc(-c3ccoc3)c2)c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-5-[2-(furan-3-yl)-4-pyridinyl]pyrimidin-2-amine?
The InChIKey is XPKJWPYYFLEAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-16-19-8-13(15(20-16)10-1-2-10)11-3-5-18-14(7-11)12-4-6-21-9-12/h3-10H,1-2H2,(H2,17,19,20).
What are the key properties of 4-cyclopropyl-5-[2-(furan-3-yl)-4-pyridinyl]pyrimidin-2-amine?
4-cyclopropyl-5-[2-(furan-3-yl)-4-pyridinyl]pyrimidin-2-amine has a molecular weight of 278.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[2-(furan-3-yl)-4-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 118709191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).