5-chloro-4-(furan-2-yl)-6-phenylmethoxypyrimidin-2-amine

C15H12ClN3O2 — CID 18507653

IUPAC5-chloro-4-(furan-2-yl)-6-phenylmethoxypyrimidin-2-amine
SMILESNc1nc(OCc2ccccc2)c(Cl)c(-c2ccco2)n1
InChIInChI=1S/C15H12ClN3O2/c16-12-13(11-7-4-8-20-11)18-15(17)19-14(12)21-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,17,18,19)
InChIKeyOLYHKOAADZAYQL-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.55
Rot. Bonds4

About 5-chloro-4-(furan-2-yl)-6-phenylmethoxypyrimidin-2-amine

5-chloro-4-(furan-2-yl)-6-phenylmethoxypyrimidin-2-amine (PubChem CID 18507653) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 5-chloro-4-(furan-2-yl)-6-phenylmethoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(furan-2-yl)-6-phenylmethoxypyrimidin-2-amine
PubChem CID18507653
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name5-chloro-4-(furan-2-yl)-6-phenylmethoxypyrimidin-2-amine
SMILESNc1nc(OCc2ccccc2)c(Cl)c(-c2ccco2)n1
InChIInChI=1S/C15H12ClN3O2/c16-12-13(11-7-4-8-20-11)18-15(17)19-14(12)21-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,17,18,19)
InChIKeyOLYHKOAADZAYQL-UHFFFAOYSA-N
XLogP3.55
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(furan-2-yl)-6-(pyridin-2-ylmethoxy)pyrimidin-2-amine
CID 18507689
5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine
CID 23020456
9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine
CID 58758787
2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile
CID 69289830
4-(furan-2-yl)-5-phenylpyrimidin-2-amine
CID 134140522
2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide
CID 16792148
2-[4-(phenoxymethyl)phenyl]furan
CID 168528432
2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide
CID 141071926
4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 76847022
2-[4-(2-phenylmethoxyphenyl)phenyl]furan
CID 168526553
1-[(2-chlorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015516
(2-amino-6-phenylmethoxypurin-9-yl)methanol
CID 91583081

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(furan-2-yl)-6-phenylmethoxypyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(furan-2-yl)-6-phenylmethoxypyrimidin-2-amine (CID 18507653) is 5-chloro-4-(furan-2-yl)-6-phenylmethoxypyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(furan-2-yl)-6-phenylmethoxypyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(furan-2-yl)-6-phenylmethoxypyrimidin-2-amine is Nc1nc(OCc2ccccc2)c(Cl)c(-c2ccco2)n1.
What is the InChIKey of 5-chloro-4-(furan-2-yl)-6-phenylmethoxypyrimidin-2-amine?
The InChIKey is OLYHKOAADZAYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-12-13(11-7-4-8-20-11)18-15(17)19-14(12)21-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,17,18,19).
What are the key properties of 5-chloro-4-(furan-2-yl)-6-phenylmethoxypyrimidin-2-amine?
5-chloro-4-(furan-2-yl)-6-phenylmethoxypyrimidin-2-amine has a molecular weight of 301.73 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(furan-2-yl)-6-phenylmethoxypyrimidin-2-amine is sourced from PubChem (CID 18507653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).