4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine

C20H22N4O3 — CID 14722198

IUPAC4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
SMILESc1cc(Nc2nccc(-c3ccco3)n2)cc(OCCN2CCOCC2)c1
InChIInChI=1S/C20H22N4O3/c1-3-16(15-17(4-1)26-14-10-24-8-12-25-13-9-24)22-20-21-7-6-18(23-20)19-5-2-11-27-19/h1-7,11,15H,8-10,12-14H2,(H,21,22,23)
InChIKeyUVQAGFYUBSBKPZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.19
Rot. Bonds7

About 4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine

4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine (PubChem CID 14722198) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
PubChem CID14722198
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
SMILESc1cc(Nc2nccc(-c3ccco3)n2)cc(OCCN2CCOCC2)c1
InChIInChI=1S/C20H22N4O3/c1-3-16(15-17(4-1)26-14-10-24-8-12-25-13-9-24)22-20-21-7-6-18(23-20)19-5-2-11-27-19/h1-7,11,15H,8-10,12-14H2,(H,21,22,23)
InChIKeyUVQAGFYUBSBKPZ-UHFFFAOYSA-N
XLogP3.19
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine (CID 14722198) is 4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine is c1cc(Nc2nccc(-c3ccco3)n2)cc(OCCN2CCOCC2)c1.
What is the InChIKey of 4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine?
The InChIKey is UVQAGFYUBSBKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-16(15-17(4-1)26-14-10-24-8-12-25-13-9-24)22-20-21-7-6-18(23-20)19-5-2-11-27-19/h1-7,11,15H,8-10,12-14H2,(H,21,22,23).
What are the key properties of 4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine?
4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine has a molecular weight of 366.42 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 14722198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).